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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C(C#N)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C(\C#N)/C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C19H17N3O5/c1-27-17-11-14(10-16(18(17)23)22(25)26)9-15(12-20)19(24)21-8-7-13-5-3-2-4-6-13/h2-6,9-11,23H,7-8H2,1H3,(H,21,24)/p-1/b15-9+