[2-[4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(3-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(3-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxo-ethyl] 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(3-methoxyphenyl)-4-quinolinecarboxylic acid [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(3-methoxyphenyl)cinchoninic acid [2-keto-2-[4-(4-nitrophenoxy)phenyl]ethyl] ester Formula: C31H21BrN2O7 MolecularWeight: 613.41164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H21BrN2O7/c1-39-25-4-2-3-20(15-25)29-17-27(26-16-21(32)7-14-28(26)33-29)31(36)40-18-30(35)19-5-10-23(11-6-19)41-24-12-8-22(9-13-24)34(37)38/h2-17H,18H2,1H3