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

Systemtic Name: 2-(4-tert-butylphenyl)-3-ethyl-5-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1H-pyrazole-4-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-3-ethyl-5-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1H-pyrazole-4-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-3-ethyl-5-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyrazole-4-carboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-3-ethyl-5-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-5-ethyl-3-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-3-pyrazoline-4-carboxylic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C=CC(=O)C(=C2)O)NN1C3=CC=C(C=C3)C(C)(C)C)C(=O)O

Isomeric SMILES

CCC1=C(C(=C2C=CC(=O)C(=C2)O)NN1C3=CC=C(C=C3)C(C)(C)C)C(=O)O

InChI

InChI=1S/C22H24N2O4/c1-5-16-19(21(27)28)20(13-6-11-17(25)18(26)12-13)23-24(16)15-9-7-14(8-10-15)22(2,3)4/h6-12,23,26H,5H2,1-4H3,(H,27,28)