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

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C16H14BrNO3 MolecularWeight: 348.19126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrNO3/c1-2-11-3-5-12(6-4-11)15(19)10-21-16(20)13-7-14(17)9-18-8-13/h3-9H,2,10H2,1H3