[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(4-butoxycarbonylanilino)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[4-[butoxy(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-butoxycarbonylanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(4-butoxycarbonylanilino)-2-keto-ethyl] ester Formula: C19H19BrN2O5 MolecularWeight: 435.26856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O5/c1-2-3-8-26-18(24)13-4-6-16(7-5-13)22-17(23)12-27-19(25)14-9-15(20)11-21-10-14/h4-7,9-11H,2-3,8,12H2,1H3,(H,22,23)