propyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: propyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: propyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid propyl ester Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-2-9-18-13(17)10-3-5-11(6-4-10)15-12(16)7-8-14/h3-6H,2,7,9H2,1H3,(H,15,16)