ethyl 2-[cyano-(4-nitrophenyl)methyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[cyano-(4-nitrophenyl)methyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[cyano-(4-nitrophenyl)methyl]-3-oxo-butanoate CAS Name: 2-[cyano-(4-nitrophenyl)methyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[cyano-(4-nitrophenyl)methyl]-3-oxobutanoate Traditional Name: 2-[cyano-(4-nitrophenyl)methyl]-3-keto-butyric acid ethyl ester Formula: C14H14N2O5 MolecularWeight: 290.27136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O5/c1-3-21-14(18)13(9(2)17)12(8-15)10-4-6-11(7-5-10)16(19)20/h4-7,12-13H,3H2,1-2H3