[2-[4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 6-bromanyl-7-chloranyl-8-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 6-bromanyl-7-chloranyl-8-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxo-ethyl] 6-bromo-7-chloro-8-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-7-chloro-8-methyl-2-phenyl-4-quinolinecarboxylic acid [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] 6-bromo-7-chloro-8-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-7-chloro-8-methyl-2-phenyl-cinchoninic acid [2-keto-2-[4-(4-nitrophenoxy)phenyl]ethyl] ester Formula: C31H20BrClN2O6 MolecularWeight: 631.8573

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H20BrClN2O6/c1-18-29(33)26(32)15-24-25(16-27(34-30(18)24)19-5-3-2-4-6-19)31(37)40-17-28(36)20-7-11-22(12-8-20)41-23-13-9-21(10-14-23)35(38)39/h2-16H,17H2,1H3