[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H12BrN3O3 MolecularWeight: 374.18878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C16H12BrN3O3/c1-10(23-16(22)12-6-13(17)9-19-8-12)15(21)20-14-5-3-2-4-11(14)7-18/h2-6,8-10H,1H3,(H,20,21)