(3-nitrophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: (3-nitrophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: (3-nitrophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid (3-nitrobenzyl) ester Formula: C25H20N2O6 MolecularWeight: 444.4361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CC(=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CC(=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C25H20N2O6/c1-31-23-11-10-17(13-24(23)32-2)22-14-20(19-8-3-4-9-21(19)26-22)25(28)33-15-16-6-5-7-18(12-16)27(29)30/h3-14H,15H2,1-2H3