O1-methyl O3-[[4-(trifluoromethyl)phenyl]methyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[[4-(trifluoromethyl)phenyl]methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[[4-(trifluoromethyl)phenyl]methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[[4-(trifluoromethyl)phenyl]methyl] ester IUPAC Name: 1-O-methyl 3-O-[[4-(trifluoromethyl)phenyl]methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[4-(trifluoromethyl)benzyl] ester Formula: C17H12F3NO6 MolecularWeight: 383.27549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H12F3NO6/c1-26-15(22)11-6-12(8-14(7-11)21(24)25)16(23)27-9-10-2-4-13(5-3-10)17(18,19)20/h2-8H,9H2,1H3