[2-(3-bromophenyl)-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C14H10BrNO3 MolecularWeight: 320.1381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrNO3/c15-12-5-1-3-10(7-12)13(17)9-19-14(18)11-4-2-6-16-8-11/h1-8H,9H2