N-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-1,3-benzodioxol-5-amine

Systemtic Name: N-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-1,3-benzodioxol-5-amine Openeye Name: N-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-1,3-benzodioxol-5-amine CAS Name: N-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-1,3-benzodioxol-5-amine IUPAC Name: N-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-1,3-benzodioxol-5-amine Traditional Name: 1,3-benzodioxol-5-yl-(2-nitro-4-triflyl-phenyl)amine Formula: C14H9F3N2O6S MolecularWeight: 390.29127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H9F3N2O6S/c15-14(16,17)26(22,23)9-2-3-10(11(6-9)19(20)21)18-8-1-4-12-13(5-8)25-7-24-12/h1-6,18H,7H2