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

Systemtic Name: 4-[(E)-2-cyano-3-[(2,4-dimethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-(2,4-dimethylanilino)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-(2,4-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-(2,4-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-(2,4-dimethylanilino)-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C19H16N3O5- MolecularWeight: 366.34744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])/C#N)C

InChI

InChI=1S/C19H17N3O5/c1-11-4-5-15(12(2)6-11)21-19(24)14(10-20)7-13-8-16(22(25)26)18(23)17(9-13)27-3/h4-9,23H,1-3H3,(H,21,24)/p-1/b14-7+