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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C=CC(=O)C(=C2)O)NN1C3=CC=C(C=C3)C(C)(C)C)C(=O)O

Isomeric SMILES

CCCC1=C(C(=C2C=CC(=O)C(=C2)O)NN1C3=CC=C(C=C3)C(C)(C)C)C(=O)O

InChI

InChI=1S/C23H26N2O4/c1-5-6-17-20(22(28)29)21(14-7-12-18(26)19(27)13-14)24-25(17)16-10-8-15(9-11-16)23(2,3)4/h7-13,24,27H,5-6H2,1-4H3,(H,28,29)