3-[4-[(E)-(5-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)-(5-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)-(5-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)-(5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-3-oxo-5-propyl-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 3-[4-[(E)-(5-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-5-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=CC=C(C3=O)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=CC(=C2)C(=O)O)/C=C/3\C=CC=C(C3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O6/c1-2-5-16-15(11-12-6-4-9-17(18(12)24)23(28)29)19(25)22(21-16)14-8-3-7-13(10-14)20(26)27/h3-4,6-11,21H,2,5H2,1H3,(H,26,27)/b12-11+