3-[4-[(E)-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-3-oxidanylidene-5-phenyl-1H-pyrazol-2-yl]benzoic acid

Systemtic Name: 3-[4-[(E)-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-3-oxidanylidene-5-phenyl-1H-pyrazol-2-yl]benzoic acid Openeye Name: 3-[4-[(E)-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-3-oxo-5-phenyl-1H-pyrazol-2-yl]benzoic acid CAS Name: 3-[4-[(E)-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-oxo-5-phenyl-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 3-[4-[(E)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-oxo-5-phenyl-1H-pyrazol-2-yl]benzoic acid Traditional Name: 3-[5-keto-4-[(E)-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-3-phenyl-3-pyrazolin-1-yl]benzoic acid Formula: C24H18N2O5 MolecularWeight: 414.41012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C(NN(C2=O)C3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4)C=CC1=O

Isomeric SMILES

COC1=C/C(=C/C2=C(NN(C2=O)C3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4)/C=CC1=O

InChI

InChI=1S/C24H18N2O5/c1-31-21-13-15(10-11-20(21)27)12-19-22(16-6-3-2-4-7-16)25-26(23(19)28)18-9-5-8-17(14-18)24(29)30/h2-14,25H,1H3,(H,29,30)/b15-12+