[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-(4-bromophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-(4-bromophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-(4-bromophenyl)-4-oxo-butanoate CAS Name: 4-(4-bromophenyl)-4-oxobutanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-(4-bromophenyl)-4-oxobutanoate Traditional Name: 4-(4-bromophenyl)-4-keto-butyric acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C15H15BrN2O4 MolecularWeight: 367.1946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrN2O4/c16-12-4-2-11(3-5-12)13(19)6-7-15(21)22-10-14(20)18-9-1-8-17/h2-5H,1,6-7,9-10H2,(H,18,20)