[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C24H15BrFN3O5 MolecularWeight: 524.295403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])F

InChI

InChI=1S/C24H15BrFN3O5/c25-15-7-5-14(6-8-15)21-12-18(17-3-1-2-4-20(17)27-21)24(31)34-13-23(30)28-22-11-16(29(32)33)9-10-19(22)26/h1-12H,13H2,(H,28,30)