[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C17H19BrN2O5 MolecularWeight: 411.24716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2O5/c1-20(9-3-8-19)16(22)11-25-17(23)7-5-14(21)13-10-12(18)4-6-15(13)24-2/h4,6,10H,3,5,7,9,11H2,1-2H3