2-methylsulfonyl-4-nitro-aniline; 3-(trifluoromethyl)aniline

Systemtic Name: 2-methylsulfonyl-4-nitro-aniline; 3-(trifluoromethyl)aniline Openeye Name: 2-methylsulfonyl-4-nitro-aniline; 3-(trifluoromethyl)aniline CAS Name: 2-methylsulfonyl-4-nitroaniline; 3-(trifluoromethyl)aniline IUPAC Name: 2-methylsulfonyl-4-nitroaniline; 3-(trifluoromethyl)aniline Traditional Name: (2-mesyl-4-nitro-phenyl)amine; [3-(trifluoromethyl)phenyl]amine Formula: C14H14F3N3O4S MolecularWeight: 377.33887

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N.C1=CC(=CC(=C1)N)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N.C1=CC(=CC(=C1)N)C(F)(F)F

InChI

InChI=1S/C7H6F3N.C7H8N2O4S/c8-7(9,10)5-2-1-3-6(11)4-5;1-14(12,13)7-4-5(9(10)11)2-3-6(7)8/h1-4H,11H2;2-4H,8H2,1H3