2-methyl-5-(4-methylpiperazin-1-yl)-4,6-dinitro-1H-benzimidazole

Systemtic Name: 2-methyl-5-(4-methylpiperazin-1-yl)-4,6-dinitro-1H-benzimidazole Openeye Name: 2-methyl-5-(4-methylpiperazin-1-yl)-4,6-dinitro-1H-benzimidazole CAS Name: 2-methyl-5-(4-methyl-1-piperazinyl)-4,6-dinitro-1H-benzimidazole IUPAC Name: 2-methyl-5-(4-methylpiperazin-1-yl)-4,6-dinitro-1H-benzimidazole Traditional Name: 2-methyl-5-(4-methylpiperazino)-4,6-dinitro-1H-benzimidazole Formula: C13H16N6O4 MolecularWeight: 320.30394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C(C=C2N1)[N+](=O)[O-])N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C(=C(C=C2N1)[N+](=O)[O-])N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C13H16N6O4/c1-8-14-9-7-10(18(20)21)12(13(19(22)23)11(9)15-8)17-5-3-16(2)4-6-17/h7H,3-6H2,1-2H3,(H,14,15)