methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid methyl ester Formula: C11H10N2O3 MolecularWeight: 218.2087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O3/c1-16-11(15)8-2-4-9(5-3-8)13-10(14)6-7-12/h2-5H,6H2,1H3,(H,13,14)