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

Systemtic Name: O1-ethyl O3-[1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: 1-O-ethyl 3-O-[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-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)[N+](=O)[O-])C(=O)OC(C)C(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C20H19FN2O7/c1-3-29-19(25)14-8-15(10-17(9-14)23(27)28)20(26)30-12(2)18(24)22-11-13-4-6-16(21)7-5-13/h4-10,12H,3,11H2,1-2H3,(H,22,24)