N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(2-nitro-4-triflyl-phenyl)amine Formula: C16H13F3N2O6S MolecularWeight: 418.34443

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)CNC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H13F3N2O6S/c17-16(18,19)28(24,25)11-5-6-12(13(7-11)21(22)23)20-8-10-9-26-14-3-1-2-4-15(14)27-10/h1-7,10,20H,8-9H2/t10-/m0/s1