4-[(E)-2-cyano-3-[(3,4-dimethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-2-cyano-3-[(3,4-dimethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-(3,4-dimethoxyanilino)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-(3,4-dimethoxyanilino)-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C19H16N3O7- MolecularWeight: 398.34624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])/C#N)OC

InChI

InChI=1S/C19H17N3O7/c1-27-15-5-4-13(9-16(15)28-2)21-19(24)12(10-20)6-11-7-14(22(25)26)18(23)17(8-11)29-3/h4-9,23H,1-3H3,(H,21,24)/p-1/b12-6+