[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C13H13BrN2O3 MolecularWeight: 325.15792

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=CC(=CC=C1)Br

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=CC(=CC=C1)Br

InChI

InChI=1S/C13H13BrN2O3/c1-16(7-3-6-15)12(17)9-19-13(18)10-4-2-5-11(14)8-10/h2,4-5,8H,3,7,9H2,1H3