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Details

Stereochemistry ACHIRAL
Molecular Formula C25H22N4O5
Molecular Weight 458.466
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-(2-HYDROXY-3-((2Z)-2-(1-(4-(HYDROXYMETHYL)-3-METHYL-PHENYL)-3-METHYL-5-OXO-PYRAZOL-4-YLIDENE)HYDRAZINO)PHENYL)BENZOIC ACID

SMILES

CC1=NN(C(=O)\C1=N/NC2=C(O)C(=CC=C2)C3=CC(=CC=C3)C(O)=O)C4=CC=C(CO)C(C)=C4

InChI

InChIKey=BKIRYLGLJFHJIX-QYQHSDTDSA-N
InChI=1S/C25H22N4O5/c1-14-11-19(10-9-18(14)13-30)29-24(32)22(15(2)28-29)27-26-21-8-4-7-20(23(21)31)16-5-3-6-17(12-16)25(33)34/h3-12,26,30-31H,13H2,1-2H3,(H,33,34)/b27-22-

HIDE SMILES / InChI

Molecular Formula C25H22N4O5
Molecular Weight 458.466
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
V7QC3797D7
Record Status Validated (UNII)
Record Version