ethyl 3-(2-azanyl-2-cyano-ethanoyl)benzoate

Systemtic Name: ethyl 3-(2-azanyl-2-cyano-ethanoyl)benzoate Openeye Name: ethyl 3-(2-amino-2-cyano-acetyl)benzoate CAS Name: 3-(2-amino-2-cyano-1-oxoethyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-(2-amino-2-cyanoacetyl)benzoate Traditional Name: 3-(2-amino-2-cyano-acetyl)benzoic acid ethyl ester Formula: C12H12N2O3 MolecularWeight: 232.23528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C(=O)C(C#N)N

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C(=O)C(C#N)N

InChI

InChI=1S/C12H12N2O3/c1-2-17-12(16)9-5-3-4-8(6-9)11(15)10(14)7-13/h3-6,10H,2,14H2,1H3