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

Systemtic Name: N-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-phenyl-methanamine Openeye Name: N-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-phenyl-methanamine CAS Name: N-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-phenylmethanamine IUPAC Name: N-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-phenylmethanamine Traditional Name: benzyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amine Formula: C17H18N2O4 MolecularWeight: 314.33582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CN(CC1=CC=CC=C1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C17H18N2O4/c1-18(9-13-5-3-2-4-6-13)10-14-7-16(19(20)21)8-15-11-22-12-23-17(14)15/h2-8H,9-12H2,1H3