[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C20H23BrN4O4 MolecularWeight: 463.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N(CCC#N)CCC#N)NC(=O)C1=CC=CC=C1Br

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)N(CCC#N)CCC#N)NC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C20H23BrN4O4/c1-14(2)18(24-19(27)15-7-3-4-8-16(15)21)20(28)29-13-17(26)25(11-5-9-22)12-6-10-23/h3-4,7-8,14,18H,5-6,11-13H2,1-2H3,(H,24,27)