methyl 4-(3-nitrophenyl)-2-[phenyl(trifluoromethylsulfonyl)amino]butanoate

Systemtic Name: methyl 4-(3-nitrophenyl)-2-[phenyl(trifluoromethylsulfonyl)amino]butanoate Openeye Name: methyl 4-(3-nitrophenyl)-2-[N-(trifluoromethylsulfonyl)anilino]butanoate CAS Name: 4-(3-nitrophenyl)-2-[N-(trifluoromethylsulfonyl)anilino]butanoic acid methyl ester IUPAC Name: methyl 4-(3-nitrophenyl)-2-[N-(trifluoromethylsulfonyl)anilino]butanoate Traditional Name: 4-(3-nitrophenyl)-2-(N-triflylanilino)butyric acid methyl ester Formula: C18H17F3N2O6S MolecularWeight: 446.39759

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC1=CC(=CC=C1)[N+](=O)[O-])N(C2=CC=CC=C2)S(=O)(=O)C(F)(F)F

Isomeric SMILES

COC(=O)C(CCC1=CC(=CC=C1)[N+](=O)[O-])N(C2=CC=CC=C2)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C18H17F3N2O6S/c1-29-17(24)16(11-10-13-6-5-9-15(12-13)23(25)26)22(14-7-3-2-4-8-14)30(27,28)18(19,20)21/h2-9,12,16H,10-11H2,1H3