[1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[(2-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[(2-chlorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C16H14BrClN2O3 MolecularWeight: 397.65096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1Cl)OC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1Cl)OC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C16H14BrClN2O3/c1-10(23-16(22)12-6-13(17)9-19-7-12)15(21)20-8-11-4-2-3-5-14(11)18/h2-7,9-10H,8H2,1H3,(H,20,21)