[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C17H13BrN2O3 MolecularWeight: 373.20072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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