2-(4-tert-butylphenyl)-3-methyl-5-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1H-pyrazole-4-carboxylic acid

Systemtic Name: 2-(4-tert-butylphenyl)-3-methyl-5-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1H-pyrazole-4-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-5-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3-methyl-1H-pyrazole-4-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-5-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-3-methyl-1H-pyrazole-4-carboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-5-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3-methyl-1H-pyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-3-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-5-methyl-3-pyrazoline-4-carboxylic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=CC(=O)C(=C2)O)NN1C3=CC=C(C=C3)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=C2C=CC(=O)C(=C2)O)NN1C3=CC=C(C=C3)C(C)(C)C)C(=O)O

InChI

InChI=1S/C21H22N2O4/c1-12-18(20(26)27)19(13-5-10-16(24)17(25)11-13)22-23(12)15-8-6-14(7-9-15)21(2,3)4/h5-11,22,25H,1-4H3,(H,26,27)