U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H9NO2
Molecular Weight 247.2482
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-NITROPYRENE

SMILES

[O-][N+](=O)C1=CC=C2C=CC3=CC=CC4=C3C2=C1C=C4

InChI

InChIKey=ALRLPDGCPYIVHP-UHFFFAOYSA-N
InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H

HIDE SMILES / InChI

Approval Year

Name Type Language
1-NITROPYRENE
HSDB  
Systematic Name English
3-NITROPYRENE
Systematic Name English
NITROPYRENE, 1-
Systematic Name English
PYRENE, 1-NITRO-
Systematic Name English
1-NITROPYRENE [IARC]
Common Name English
NSC-81340
Code English
1-NITROPYRENE [HSDB]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C45182
Created by admin on Sat Dec 16 05:27:16 UTC 2023 , Edited by admin on Sat Dec 16 05:27:16 UTC 2023
Code System Code Type Description
HSDB
6980
Created by admin on Sat Dec 16 05:27:16 UTC 2023 , Edited by admin on Sat Dec 16 05:27:16 UTC 2023
PRIMARY
WIKIPEDIA
1-NITROPYRENE
Created by admin on Sat Dec 16 05:27:16 UTC 2023 , Edited by admin on Sat Dec 16 05:27:16 UTC 2023
PRIMARY
CAS
5522-43-0
Created by admin on Sat Dec 16 05:27:16 UTC 2023 , Edited by admin on Sat Dec 16 05:27:16 UTC 2023
PRIMARY
MESH
C032668
Created by admin on Sat Dec 16 05:27:16 UTC 2023 , Edited by admin on Sat Dec 16 05:27:16 UTC 2023
PRIMARY
ECHA (EC/EINECS)
226-868-2
Created by admin on Sat Dec 16 05:27:16 UTC 2023 , Edited by admin on Sat Dec 16 05:27:16 UTC 2023
PRIMARY
CHEBI
34107
Created by admin on Sat Dec 16 05:27:16 UTC 2023 , Edited by admin on Sat Dec 16 05:27:16 UTC 2023
PRIMARY
FDA UNII
TD1665I8Q4
Created by admin on Sat Dec 16 05:27:16 UTC 2023 , Edited by admin on Sat Dec 16 05:27:16 UTC 2023
PRIMARY
NCI_THESAURUS
C29781
Created by admin on Sat Dec 16 05:27:16 UTC 2023 , Edited by admin on Sat Dec 16 05:27:16 UTC 2023
PRIMARY
EPA CompTox
DTXSID6020983
Created by admin on Sat Dec 16 05:27:16 UTC 2023 , Edited by admin on Sat Dec 16 05:27:16 UTC 2023
PRIMARY
NSC
81340
Created by admin on Sat Dec 16 05:27:16 UTC 2023 , Edited by admin on Sat Dec 16 05:27:16 UTC 2023
PRIMARY
PUBCHEM
21694
Created by admin on Sat Dec 16 05:27:16 UTC 2023 , Edited by admin on Sat Dec 16 05:27:16 UTC 2023
PRIMARY