N',N'-dimethyl-N-(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)propane-1,3-diamine

Systemtic Name: N',N'-dimethyl-N-(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)propane-1,3-diamine Openeye Name: N',N'-dimethyl-N-(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)propane-1,3-diamine CAS Name: N',N'-dimethyl-N-(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)propane-1,3-diamine IUPAC Name: N',N'-dimethyl-N-(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)propane-1,3-diamine Traditional Name: dimethyl-[3-[(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino]propyl]amine Formula: C13H18N6O4 MolecularWeight: 322.31982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C(C=C2N1)[N+](=O)[O-])NCCCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C(=C(C=C2N1)[N+](=O)[O-])NCCCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H18N6O4/c1-8-15-9-7-10(18(20)21)12(14-5-4-6-17(2)3)13(19(22)23)11(9)16-8/h7,14H,4-6H2,1-3H3,(H,15,16)