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

Systemtic Name: (1R)-1-(3-chlorophenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine Openeye Name: (1R)-1-(3-chlorophenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine CAS Name: (1R)-1-(3-chlorophenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine IUPAC Name: (1R)-1-(3-chlorophenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine Traditional Name: [(1R)-1-(3-chlorophenyl)ethyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amine Formula: C17H17ClN2O4 MolecularWeight: 348.78088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)Cl)NCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)Cl)NCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C17H17ClN2O4/c1-11(12-3-2-4-15(18)5-12)19-8-13-6-16(20(21)22)7-14-9-23-10-24-17(13)14/h2-7,11,19H,8-10H2,1H3/t11-/m1/s1