[4-(4-bromophenyl)-4-oxidanylidene-butyl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C16H13BrClNO3 MolecularWeight: 382.63632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)Cl)C(=O)OCCCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC(=C(N=C1)Cl)C(=O)OCCCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H13BrClNO3/c17-12-7-5-11(6-8-12)14(20)4-2-10-22-16(21)13-3-1-9-19-15(13)18/h1,3,5-9H,2,4,10H2