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

Systemtic Name: (1S)-N-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-phenyl-ethanamine Openeye Name: (1S)-N-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-phenyl-ethanamine CAS Name: (1S)-N-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-phenylethanamine IUPAC Name: (1S)-N-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-phenylethanamine Traditional Name: methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-[(1S)-1-phenylethyl]amine Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4/c1-13(14-6-4-3-5-7-14)19(2)10-15-8-17(20(21)22)9-16-11-23-12-24-18(15)16/h3-9,13H,10-12H2,1-2H3/t13-/m0/s1