[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-pyridin-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-pyridin-2-ylquinoline-4-carboxylate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 2-(2-pyridyl)quinoline-4-carboxylate CAS Name: 2-(2-pyridinyl)-4-quinolinecarboxylic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-pyridyl)cinchoninic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C23H16BrN3O3 MolecularWeight: 462.29544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)OCC(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)OCC(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C23H16BrN3O3/c24-15-6-5-7-16(12-15)26-22(28)14-30-23(29)18-13-21(20-10-3-4-11-25-20)27-19-9-2-1-8-17(18)19/h1-13H,14H2,(H,26,28)