2-methyl-N1,N4-bis(6-nitro-1H-benzimidazol-2-yl)benzene-1,4-diamine

Systemtic Name: 2-methyl-N1,N4-bis(6-nitro-1H-benzimidazol-2-yl)benzene-1,4-diamine Openeye Name: 2-methyl-N1,N4-bis(6-nitro-1H-benzimidazol-2-yl)benzene-1,4-diamine CAS Name: 2-methyl-N1,N4-bis(6-nitro-1H-benzimidazol-2-yl)benzene-1,4-diamine IUPAC Name: 2-methyl-1-N,4-N-bis(6-nitro-1H-benzimidazol-2-yl)benzene-1,4-diamine Traditional Name: [2-methyl-4-[(6-nitro-1H-benzimidazol-2-yl)amino]phenyl]-(6-nitro-1H-benzimidazol-2-yl)amine Formula: C21H16N8O4 MolecularWeight: 444.40294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])NC4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])NC4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H16N8O4/c1-11-8-12(22-20-24-16-6-3-13(28(30)31)9-18(16)26-20)2-5-15(11)23-21-25-17-7-4-14(29(32)33)10-19(17)27-21/h2-10H,1H3,(H2,22,24,26)(H2,23,25,27)