[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C15H13BrN2O3 MolecularWeight: 349.17932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CN=CC=C2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CN=CC=C2)Br

InChI

InChI=1S/C15H13BrN2O3/c1-10-4-5-13(12(16)7-10)18-14(19)9-21-15(20)11-3-2-6-17-8-11/h2-8H,9H2,1H3,(H,18,19)