[2-[2-[ethyl-(3-methylphenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[2-[ethyl-(3-methylphenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[2-(N-ethyl-3-methyl-anilino)ethylamino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[2-(N-ethyl-3-methyl-anilino)ethylamino]-2-keto-ethyl] ester Formula: C19H22BrN3O3 MolecularWeight: 420.30028

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNC(=O)COC(=O)C1=CC(=CN=C1)Br)C2=CC=CC(=C2)C

Isomeric SMILES

CCN(CCNC(=O)COC(=O)C1=CC(=CN=C1)Br)C2=CC=CC(=C2)C

InChI

InChI=1S/C19H22BrN3O3/c1-3-23(17-6-4-5-14(2)9-17)8-7-22-18(24)13-26-19(25)15-10-16(20)12-21-11-15/h4-6,9-12H,3,7-8,13H2,1-2H3,(H,22,24)