4-[5-methyl-4-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-3-oxidanylidene-1H-pyrazol-2-yl]benzoic acid

Systemtic Name: 4-[5-methyl-4-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-3-oxidanylidene-1H-pyrazol-2-yl]benzoic acid Openeye Name: 4-[5-methyl-4-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-3-oxo-1H-pyrazol-2-yl]benzoic acid CAS Name: 4-[5-methyl-4-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-3-oxo-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 4-[5-methyl-4-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-3-oxo-1H-pyrazol-2-yl]benzoic acid Traditional Name: 4-[5-keto-4-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]-3-methyl-3-pyrazolin-1-yl]benzoic acid Formula: C18H13N3O6 MolecularWeight: 367.31232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)O)C=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)O)C=C3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O6/c1-10-15(9-12-8-14(21(26)27)6-7-16(12)22)17(23)20(19-10)13-4-2-11(3-5-13)18(24)25/h2-9,19H,1H3,(H,24,25)