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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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