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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O6/c1-23-13-7-9(6-12(14(13)18)17(21)22)8-16-11-4-2-10(3-5-11)15(19)20/h2-8,16H,1H3,(H,19,20)/b9-8+