(1R)-1-(2-chlorophenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine

Systemtic Name: (1R)-1-(2-chlorophenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine Openeye Name: (1R)-1-(2-chlorophenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine CAS Name: (1R)-1-(2-chlorophenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine IUPAC Name: (1R)-1-(2-chlorophenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine Traditional Name: [(1R)-1-(2-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=C1Cl)NCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

C[C@H](C1=CC=CC=C1Cl)NCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

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