[2-[[1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-methyl-amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[[1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-methyl-amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[[1-(2-chlorophenyl)-2-oxo-cyclohexyl]-methyl-amino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[[1-(2-chlorophenyl)-2-keto-cyclohexyl]-methyl-amino]-2-keto-ethyl] ester Formula: C21H20BrClN2O4 MolecularWeight: 479.7515

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CC(=CN=C1)Br)C2(CCCCC2=O)C3=CC=CC=C3Cl

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC(=CN=C1)Br)C2(CCCCC2=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H20BrClN2O4/c1-25(19(27)13-29-20(28)14-10-15(22)12-24-11-14)21(9-5-4-8-18(21)26)16-6-2-3-7-17(16)23/h2-3,6-7,10-12H,4-5,8-9,13H2,1H3