[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)carbonylamino]ethanoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)carbonylamino]ethanoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-[(4-bromobenzoyl)amino]acetate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]acetic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate Traditional Name: 2-[(4-bromobenzoyl)amino]acetic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C15H16BrN3O4 MolecularWeight: 382.20924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN3O4/c1-19(8-2-7-17)13(20)10-23-14(21)9-18-15(22)11-3-5-12(16)6-4-11/h3-6H,2,8-10H2,1H3,(H,18,22)