[(1R)-1-(3-nitrophenyl)ethyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C19H16N2O4 MolecularWeight: 336.34134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)O[C@H](C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O4/c1-12-10-17(16-8-3-4-9-18(16)20-12)19(22)25-13(2)14-6-5-7-15(11-14)21(23)24/h3-11,13H,1-2H3/t13-/m1/s1