[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)carbonylamino]propanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)carbonylamino]propanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-[(4-bromobenzoyl)amino]propanoate CAS Name: 3-[[(4-bromophenyl)-oxomethyl]amino]propanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate Traditional Name: 3-[(4-bromobenzoyl)amino]propionic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C15H16BrN3O4 MolecularWeight: 382.20924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCC(=O)OCC(=O)NCCC#N)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCC(=O)OCC(=O)NCCC#N)Br

InChI

InChI=1S/C15H16BrN3O4/c16-12-4-2-11(3-5-12)15(22)19-9-6-14(21)23-10-13(20)18-8-1-7-17/h2-5H,1,6,8-10H2,(H,18,20)(H,19,22)