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

Systemtic Name: O3-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(3-fluoroanilino)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(3-fluoroanilino)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(3-fluoroanilino)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(3-fluoroanilino)-2-keto-ethyl] ester O1-methyl ester Formula: C17H13FN2O7 MolecularWeight: 376.292723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC(=CC=C2)F

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C17H13FN2O7/c1-26-16(22)10-5-11(7-14(6-10)20(24)25)17(23)27-9-15(21)19-13-4-2-3-12(18)8-13/h2-8H,9H2,1H3,(H,19,21)