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

Systemtic Name: 2-(4-tert-butylphenyl)-5-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3-propan-2-yl-1H-pyrazole-4-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-5-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3-isopropyl-1H-pyrazole-4-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-5-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-3-propan-2-yl-1H-pyrazole-4-carboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-5-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3-propan-2-yl-1H-pyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-3-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-5-isopropyl-3-pyrazoline-4-carboxylic acid Formula: C23H26N2O4 MolecularWeight: 394.46354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C2C=CC(=O)C(=C2)O)NN1C3=CC=C(C=C3)C(C)(C)C)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=C2C=CC(=O)C(=C2)O)NN1C3=CC=C(C=C3)C(C)(C)C)C(=O)O

InChI

InChI=1S/C23H26N2O4/c1-13(2)21-19(22(28)29)20(14-6-11-17(26)18(27)12-14)24-25(21)16-9-7-15(8-10-16)23(3,4)5/h6-13,24,27H,1-5H3,(H,28,29)