[2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(4-chloro-3-nitro-phenyl)-2-oxo-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [2-(4-chloro-3-nitro-phenyl)-2-keto-ethyl] ester Formula: C24H14BrClN2O5 MolecularWeight: 525.73536

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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)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H14BrClN2O5/c25-16-8-5-14(6-9-16)21-12-18(17-3-1-2-4-20(17)27-21)24(30)33-13-23(29)15-7-10-19(26)22(11-15)28(31)32/h1-12H,13H2