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

Systemtic Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-nitro-4-(trifluoromethyl)aniline Openeye Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-nitro-4-(trifluoromethyl)aniline CAS Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-nitro-4-(trifluoromethyl)aniline Traditional Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C16H13F3N2O4 MolecularWeight: 354.28063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13F3N2O4/c17-16(18,19)10-5-6-12(13(7-10)21(22)23)20-8-11-9-24-14-3-1-2-4-15(14)25-11/h1-7,11,20H,8-9H2/t11-/m1/s1