[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C25H17BrClN3O5 MolecularWeight: 554.77658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H17BrClN3O5/c1-14(24(31)29-22-11-10-17(30(33)34)12-20(22)27)35-25(32)19-13-23(15-6-8-16(26)9-7-15)28-21-5-3-2-4-18(19)21/h2-14H,1H3,(H,29,31)