[2-[[2-[(4-methylphenyl)methylcarbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[[2-[(4-methylphenyl)methylcarbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-[2-(p-tolylmethylcarbamoyl)anilino]ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[2-[[(4-methylphenyl)methylamino]-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-2-[2-[(4-methylbenzyl)carbamoyl]anilino]ethyl] ester Formula: C23H20BrN3O4 MolecularWeight: 482.3266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C23H20BrN3O4/c1-15-6-8-16(9-7-15)11-26-22(29)19-4-2-3-5-20(19)27-21(28)14-31-23(30)17-10-18(24)13-25-12-17/h2-10,12-13H,11,14H2,1H3,(H,26,29)(H,27,28)