(1S)-1-(4-fluorophenyl)-N-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine

Systemtic Name: (1S)-1-(4-fluorophenyl)-N-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine Openeye Name: (1S)-1-(4-fluorophenyl)-N-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine CAS Name: (1S)-1-(4-fluorophenyl)-N-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine IUPAC Name: (1S)-1-(4-fluorophenyl)-N-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine Traditional Name: [(1S)-1-(4-fluorophenyl)ethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amine Formula: C18H19FN2O4 MolecularWeight: 346.352863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)N(C)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)F)N(C)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C18H19FN2O4/c1-12(13-3-5-16(19)6-4-13)20(2)9-14-7-17(21(22)23)8-15-10-24-11-25-18(14)15/h3-8,12H,9-11H2,1-2H3/t12-/m0/s1