[2-[(2-bromanyl-4,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[(2-bromanyl-4,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-(2-bromo-4,5-dimethyl-anilino)-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-(2-bromo-4,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4,5-dimethylanilino)-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(2-bromo-4,5-dimethyl-anilino)-2-keto-ethyl] ester Formula: C16H15BrN2O3 MolecularWeight: 363.2059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)Br)NC(=O)COC(=O)C2=CN=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1C)Br)NC(=O)COC(=O)C2=CN=CC=C2

InChI

InChI=1S/C16H15BrN2O3/c1-10-6-13(17)14(7-11(10)2)19-15(20)9-22-16(21)12-4-3-5-18-8-12/h3-8H,9H2,1-2H3,(H,19,20)