[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-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=C(C=C1)Br

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN2O3/c1-16(8-2-7-15)12(17)9-19-13(18)10-3-5-11(14)6-4-10/h3-6H,2,8-9H2,1H3