ethyl (2S)-2-cyano-3-[4-[(3-nitrophenyl)carbonylamino]phenyl]-3-oxidanylidene-propanoate

Systemtic Name: ethyl (2S)-2-cyano-3-[4-[(3-nitrophenyl)carbonylamino]phenyl]-3-oxidanylidene-propanoate Openeye Name: ethyl (2S)-2-cyano-3-[4-[(3-nitrobenzoyl)amino]phenyl]-3-oxo-propanoate CAS Name: (2S)-2-cyano-3-[4-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-3-[4-[(3-nitrobenzoyl)amino]phenyl]-3-oxopropanoate Traditional Name: (2S)-2-cyano-3-keto-3-[4-[(3-nitrobenzoyl)amino]phenyl]propionic acid ethyl ester Formula: C19H15N3O6 MolecularWeight: 381.3389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O6/c1-2-28-19(25)16(11-20)17(23)12-6-8-14(9-7-12)21-18(24)13-4-3-5-15(10-13)22(26)27/h3-10,16H,2H2,1H3,(H,21,24)/t16-/m0/s1