[2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[3-(N-methylanilino)propylamino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-2-[3-(N-methylanilino)propylamino]ethyl] ester Formula: C18H20BrN3O3 MolecularWeight: 406.2737

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)COC(=O)C1=CC(=CN=C1)Br)C2=CC=CC=C2

Isomeric SMILES

CN(CCCNC(=O)COC(=O)C1=CC(=CN=C1)Br)C2=CC=CC=C2

InChI

InChI=1S/C18H20BrN3O3/c1-22(16-6-3-2-4-7-16)9-5-8-21-17(23)13-25-18(24)14-10-15(19)12-20-11-14/h2-4,6-7,10-12H,5,8-9,13H2,1H3,(H,21,23)