O1-methyl O3-[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-[3-(trifluoromethyl)phenyl]ethyl] ester O1-methyl ester Formula: C18H12F3NO7 MolecularWeight: 411.28559

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12F3NO7/c1-28-16(24)11-5-12(8-14(7-11)22(26)27)17(25)29-9-15(23)10-3-2-4-13(6-10)18(19,20)21/h2-8H,9H2,1H3