pyridin-2-ylmethyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: pyridin-2-ylmethyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: 2-pyridylmethyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid 2-pyridylmethyl ester Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

C1=CC=NC(=C1)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C16H13N3O3/c17-9-8-15(20)19-13-6-4-12(5-7-13)16(21)22-11-14-3-1-2-10-18-14/h1-7,10H,8,11H2,(H,19,20)