ethyl 3-(5-cyano-2-nitro-phenyl)-2-oxidanylidene-propanoate

Systemtic Name: ethyl 3-(5-cyano-2-nitro-phenyl)-2-oxidanylidene-propanoate Openeye Name: ethyl 3-(5-cyano-2-nitro-phenyl)-2-oxo-propanoate CAS Name: 3-(5-cyano-2-nitrophenyl)-2-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(5-cyano-2-nitrophenyl)-2-oxopropanoate Traditional Name: 3-(5-cyano-2-nitro-phenyl)-2-keto-propionic acid ethyl ester Formula: C12H10N2O5 MolecularWeight: 262.2182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)CC1=C(C=CC(=C1)C#N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(=O)CC1=C(C=CC(=C1)C#N)[N+](=O)[O-]

InChI

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