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

Systemtic Name: 3-[4-[(3-ethoxy-2-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzoic acid Openeye Name: 3-[4-[(3-ethoxy-2-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid CAS Name: 3-[4-[(3-ethoxy-2-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 3-[4-[(3-ethoxy-2-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid Traditional Name: 3-[4-[(3-ethoxy-4-keto-2-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]-5-keto-3-methyl-3-pyrazolin-1-yl]benzoic acid Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC2=C(NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)C=CC1=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C(=CC2=C(NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)C=CC1=O)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O7/c1-3-30-18-16(24)8-7-12(17(18)23(28)29)10-15-11(2)21-22(19(15)25)14-6-4-5-13(9-14)20(26)27/h4-10,21H,3H2,1-2H3,(H,26,27)