[2-(3-bromophenyl)-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C14H10BrNO3 MolecularWeight: 320.1381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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