cyanomethyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: cyanomethyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: cyanomethyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid cyanomethyl ester Formula: C12H9N3O3 MolecularWeight: 243.21816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC#N)NC(=O)CC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC#N)NC(=O)CC#N

InChI

InChI=1S/C12H9N3O3/c13-6-5-11(16)15-10-3-1-9(2-4-10)12(17)18-8-7-14/h1-4H,5,8H2,(H,15,16)