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

Systemtic Name: 3-[4-[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-3-oxidanylidene-5-propyl-1H-pyrazol-2-yl]benzoic acid Openeye Name: 3-[4-[(E)-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-3-oxo-5-propyl-1H-pyrazol-2-yl]benzoic acid CAS Name: 3-[4-[(E)-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-3-oxo-5-propyl-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 3-[4-[(E)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-3-oxo-5-propyl-1H-pyrazol-2-yl]benzoic acid Traditional Name: 3-[5-keto-4-[(E)-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]-3-propyl-3-pyrazolin-1-yl]benzoic acid Formula: C20H17N3O6 MolecularWeight: 395.36548

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC=CC(=C2)C(=O)O)C=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=CC(=C2)C(=O)O)/C=C/3\C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O6/c1-2-4-17-16(11-13-10-15(23(28)29)7-8-18(13)24)19(25)22(21-17)14-6-3-5-12(9-14)20(26)27/h3,5-11,21H,2,4H2,1H3,(H,26,27)/b13-11+