ethyl (2S)-2-cyano-3-(4-nitrophenyl)-3-oxidanylidene-propanoate

Systemtic Name: ethyl (2S)-2-cyano-3-(4-nitrophenyl)-3-oxidanylidene-propanoate Openeye Name: ethyl (2S)-2-cyano-3-(4-nitrophenyl)-3-oxo-propanoate CAS Name: (2S)-2-cyano-3-(4-nitrophenyl)-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-3-(4-nitrophenyl)-3-oxopropanoate Traditional Name: (2S)-2-cyano-3-keto-3-(4-nitrophenyl)propionic acid ethyl ester Formula: C12H10N2O5 MolecularWeight: 262.2182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O5/c1-2-19-12(16)10(7-13)11(15)8-3-5-9(6-4-8)14(17)18/h3-6,10H,2H2,1H3/t10-/m0/s1