O1-ethyl O3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C20H19FN2O7 MolecularWeight: 418.372463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19FN2O7/c1-2-29-19(25)14-9-15(11-17(10-14)23(27)28)20(26)30-12-18(24)22-8-7-13-3-5-16(21)6-4-13/h3-6,9-11H,2,7-8,12H2,1H3,(H,22,24)