O3-[2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(3-fluoro-4-methyl-phenyl)methylamino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(3-fluoro-4-methyl-benzyl)amino]-2-keto-ethyl] ester O1-methyl ester Formula: C19H17FN2O7 MolecularWeight: 404.345883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])F

InChI

InChI=1S/C19H17FN2O7/c1-11-3-4-12(5-16(11)20)9-21-17(23)10-29-19(25)14-6-13(18(24)28-2)7-15(8-14)22(26)27/h3-8H,9-10H2,1-2H3,(H,21,23)