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

Systemtic Name: 3-[4-[(3-ethoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-3-oxidanylidene-5-phenyl-1H-pyrazol-2-yl]benzoic acid Openeye Name: 3-[4-[(3-ethoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-3-oxo-5-phenyl-1H-pyrazol-2-yl]benzoic acid CAS Name: 3-[4-[(3-ethoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-oxo-5-phenyl-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 3-[4-[(3-ethoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-oxo-5-phenyl-1H-pyrazol-2-yl]benzoic acid Traditional Name: 3-[4-[(3-ethoxy-4-keto-5-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]-5-keto-3-phenyl-3-pyrazolin-1-yl]benzoic acid Formula: C25H19N3O7 MolecularWeight: 473.43426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=C(NN(C2=O)C3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4)C=C(C1=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC2=C(NN(C2=O)C3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4)C=C(C1=O)[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O7/c1-2-35-21-13-15(12-20(23(21)29)28(33)34)11-19-22(16-7-4-3-5-8-16)26-27(24(19)30)18-10-6-9-17(14-18)25(31)32/h3-14,26H,2H2,1H3,(H,31,32)