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

Systemtic Name: ethyl (2S)-2-cyano-3-[4-[(2,4-dinitrophenyl)carbonylamino]phenyl]-3-oxidanylidene-propanoate Openeye Name: ethyl (2S)-2-cyano-3-[4-[(2,4-dinitrobenzoyl)amino]phenyl]-3-oxo-propanoate CAS Name: (2S)-2-cyano-3-[4-[[(2,4-dinitrophenyl)-oxomethyl]amino]phenyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-3-[4-[(2,4-dinitrobenzoyl)amino]phenyl]-3-oxopropanoate Traditional Name: (2S)-2-cyano-3-[4-[(2,4-dinitrobenzoyl)amino]phenyl]-3-keto-propionic acid ethyl ester Formula: C19H14N4O8 MolecularWeight: 426.33646

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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=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H14N4O8/c1-2-31-19(26)15(10-20)17(24)11-3-5-12(6-4-11)21-18(25)14-8-7-13(22(27)28)9-16(14)23(29)30/h3-9,15H,2H2,1H3,(H,21,25)/t15-/m0/s1