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

Systemtic Name: [2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(4-ethylanilino)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(4-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(4-ethylanilino)-2-keto-ethyl] ester Formula: C16H15BrN2O3 MolecularWeight: 363.2059

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C16H15BrN2O3/c1-2-11-3-5-14(6-4-11)19-15(20)10-22-16(21)12-7-13(17)9-18-8-12/h3-9H,2,10H2,1H3,(H,19,20)