[2-[4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 2-(4-cyclohexylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl] 2-(4-cyclohexylphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxo-ethyl] 2-(4-cyclohexylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-cyclohexylphenyl)-4-quinolinecarboxylic acid [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] 2-(4-cyclohexylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-cyclohexylphenyl)cinchoninic acid [2-keto-2-[4-(4-nitrophenoxy)phenyl]ethyl] ester Formula: C36H30N2O6 MolecularWeight: 586.6332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)C5=CC=C(C=C5)OC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)C5=CC=C(C=C5)OC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C36H30N2O6/c39-35(27-14-18-29(19-15-27)44-30-20-16-28(17-21-30)38(41)42)23-43-36(40)32-22-34(37-33-9-5-4-8-31(32)33)26-12-10-25(11-13-26)24-6-2-1-3-7-24/h4-5,8-22,24H,1-3,6-7,23H2