3-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-(3-nitrophenyl)-1H-imidazol-3-ium-2-amine

Systemtic Name: 3-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-(3-nitrophenyl)-1H-imidazol-3-ium-2-amine Openeye Name: 3-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-(3-nitrophenyl)-1H-imidazol-3-ium-2-amine CAS Name: 3-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-(3-nitrophenyl)-1H-imidazol-3-ium-2-amine IUPAC Name: 3-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-(3-nitrophenyl)-1H-imidazol-3-ium-2-amine Traditional Name: [3-methyl-4-(3-nitrophenyl)-1H-imidazol-3-ium-2-yl]-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine Formula: C18H16N5O6+ MolecularWeight: 398.34954

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1C2=CC(=CC=C2)[N+](=O)[O-])NCC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C[N+]1=C(NC=C1C2=CC(=CC=C2)[N+](=O)[O-])NCC3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C18H15N5O6/c1-21-15(11-3-2-4-13(5-11)22(24)25)9-20-18(21)19-8-12-6-16-17(29-10-28-16)7-14(12)23(26)27/h2-7,9H,8,10H2,1H3,(H,19,20)/p+1