methyl 4-methyl-2-[(3-methyl-4-nitro-phenyl)carbonyloxymethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(3-methyl-4-nitro-phenyl)carbonyloxymethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(3-methyl-4-nitro-benzoyl)oxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(3-methyl-4-nitrophenyl)-oxomethoxy]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(3-methyl-4-nitrobenzoyl)oxymethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[(3-methyl-4-nitro-benzoyl)oxymethyl]quinoline-3-carboxylic acid methyl ester Formula: C21H18N2O6 MolecularWeight: 394.37742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O6/c1-12-10-14(8-9-18(12)23(26)27)20(24)29-11-17-19(21(25)28-3)13(2)15-6-4-5-7-16(15)22-17/h4-10H,11H2,1-3H3