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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5/c1-12(14-6-4-3-5-7-14)21-19(24)15(11-20)8-13-9-16(22(25)26)18(23)17(10-13)27-2/h3-10,12,23H,1-2H3,(H,21,24)/p-1/b15-8+/t12-/m1/s1