N-[(2-chloranyl-5-nitro-phenyl)methyl]-N-methyl-1-(6-nitro-4H-1,3-benzodioxin-8-yl)methanamine

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-N-methyl-1-(6-nitro-4H-1,3-benzodioxin-8-yl)methanamine Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]-N-methyl-1-(6-nitro-4H-1,3-benzodioxin-8-yl)methanamine CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-1-(6-nitro-4H-1,3-benzodioxin-8-yl)methanamine IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-1-(6-nitro-4H-1,3-benzodioxin-8-yl)methanamine Traditional Name: (2-chloro-5-nitro-benzyl)-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amine Formula: C17H16ClN3O6 MolecularWeight: 393.77844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O6/c1-19(7-11-4-14(20(22)23)2-3-16(11)18)8-12-5-15(21(24)25)6-13-9-26-10-27-17(12)13/h2-6H,7-10H2,1H3