N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-nitro-4-(trifluoromethylsulfonyl)aniline

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-nitro-4-(trifluoromethylsulfonyl)aniline Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-nitro-4-(trifluoromethylsulfonyl)aniline CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-nitro-4-(trifluoromethylsulfonyl)aniline IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-nitro-4-(trifluoromethylsulfonyl)aniline Traditional Name: homoveratryl-methyl-(2-nitro-4-triflyl-phenyl)amine Formula: C18H19F3N2O6S MolecularWeight: 448.41347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19F3N2O6S/c1-22(9-8-12-4-7-16(28-2)17(10-12)29-3)14-6-5-13(11-15(14)23(24)25)30(26,27)18(19,20)21/h4-7,10-11H,8-9H2,1-3H3