(3-cyanophenyl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (3-cyanophenyl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (3-cyanophenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (3-cyanobenzyl) ester Formula: C18H13N3O3 MolecularWeight: 319.31412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O3/c19-9-8-17(22)21-16-6-4-15(5-7-16)18(23)24-12-14-3-1-2-13(10-14)11-20/h1-7,10H,8,12H2,(H,21,22)