2-(4-chlorophenyl)-N-[3-(5-methyl-2-propan-2-yl-phenoxy)-5-nitro-phenyl]quinoline-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-N-[3-(5-methyl-2-propan-2-yl-phenoxy)-5-nitro-phenyl]quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-[3-(2-isopropyl-5-methyl-phenoxy)-5-nitro-phenyl]quinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-[3-(5-methyl-2-propan-2-ylphenoxy)-5-nitrophenyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-[3-(5-methyl-2-propan-2-ylphenoxy)-5-nitrophenyl]quinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-[3-(2-isopropyl-5-methyl-phenoxy)-5-nitro-phenyl]cinchoninamide Formula: C32H26ClN3O4 MolecularWeight: 552.01954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C32H26ClN3O4/c1-19(2)26-13-8-20(3)14-31(26)40-25-16-23(15-24(17-25)36(38)39)34-32(37)28-18-30(21-9-11-22(33)12-10-21)35-29-7-5-4-6-27(28)29/h4-19H,1-3H3,(H,34,37)