3-[[(Z)-(5-methoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid

Systemtic Name: 3-[[(Z)-(5-methoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid Openeye Name: 3-[[(Z)-(5-methoxy-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid CAS Name: 3-[[(Z)-(5-methoxy-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]benzoic acid IUPAC Name: 3-[[(Z)-(5-methoxy-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid Traditional Name: 3-[[(Z)-(6-keto-5-methoxy-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid Formula: C15H12N2O6 MolecularWeight: 316.26558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=CNC2=CC=CC(=C2)C(=O)O)C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C/C(=C/NC2=CC=CC(=C2)C(=O)O)/C1=O)[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O6/c1-23-13-7-12(17(21)22)6-10(14(13)18)8-16-11-4-2-3-9(5-11)15(19)20/h2-8,16H,1H3,(H,19,20)/b10-8-