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

Systemtic Name: (3-bromophenyl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (3-bromophenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (3-bromobenzyl) ester Formula: C17H13BrN2O3 MolecularWeight: 373.20072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN2O3/c18-14-3-1-2-12(10-14)11-23-17(22)13-4-6-15(7-5-13)20-16(21)8-9-19/h1-7,10H,8,11H2,(H,20,21)