2-methoxyethyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: 2-methoxyethyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: 2-methoxyethyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid 2-methoxyethyl ester Formula: C13H14N2O4 MolecularWeight: 262.26126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C1=CC=C(C=C1)NC(=O)CC#N

Isomeric SMILES

COCCOC(=O)C1=CC=C(C=C1)NC(=O)CC#N

InChI

InChI=1S/C13H14N2O4/c1-18-8-9-19-13(17)10-2-4-11(5-3-10)15-12(16)6-7-14/h2-5H,6,8-9H2,1H3,(H,15,16)