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

Systemtic Name: 3-[5-methyl-4-[[5-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)furan-2-ylidene]methyl]-3-oxidanylidene-1H-pyrazol-2-yl]benzoic acid Openeye Name: 3-[5-methyl-4-[[5-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-2-furylidene]methyl]-3-oxo-1H-pyrazol-2-yl]benzoic acid CAS Name: 3-[5-methyl-4-[[5-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)-2-furanylidene]methyl]-3-oxo-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 3-[5-methyl-4-[[5-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)furan-2-ylidene]methyl]-3-oxo-1H-pyrazol-2-yl]benzoic acid Traditional Name: 3-[5-keto-4-[[5-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)-2-furylidene]methyl]-3-methyl-3-pyrazolin-1-yl]benzoic acid Formula: C22H15N3O7 MolecularWeight: 433.3704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC(=C2)C(=O)O)C=C3C=CC(=C4C=C(C=CC4=O)[N+](=O)[O-])O3

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC(=C2)C(=O)O)C=C3C=CC(=C4C=C(C=CC4=O)[N+](=O)[O-])O3

InChI

InChI=1S/C22H15N3O7/c1-12-17(21(27)24(23-12)14-4-2-3-13(9-14)22(28)29)11-16-6-8-20(32-16)18-10-15(25(30)31)5-7-19(18)26/h2-11,23H,1H3,(H,28,29)