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

Systemtic Name: 4-[(E)-3-[(4-acetamidophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-3-(4-acetamidoanilino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-3-(4-acetamidoanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-3-(4-acetamidoanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-(4-acetamidoanilino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C19H15N4O6- MolecularWeight: 395.3456

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C19H16N4O6/c1-11(24)21-14-3-5-15(6-4-14)22-19(26)13(10-20)7-12-8-16(23(27)28)18(25)17(9-12)29-2/h3-9,25H,1-2H3,(H,21,24)(H,22,26)/p-1/b13-7+