4,6-dinitro-N-(phenylmethyl)-1H-benzimidazol-5-amine

Systemtic Name: 4,6-dinitro-N-(phenylmethyl)-1H-benzimidazol-5-amine Openeye Name: N-benzyl-4,6-dinitro-1H-benzimidazol-5-amine CAS Name: 4,6-dinitro-N-(phenylmethyl)-1H-benzimidazol-5-amine IUPAC Name: N-benzyl-4,6-dinitro-1H-benzimidazol-5-amine Traditional Name: benzyl-(4,6-dinitro-1H-benzimidazol-5-yl)amine Formula: C14H11N5O4 MolecularWeight: 313.26824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C3C(=C2[N+](=O)[O-])N=CN3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C3C(=C2[N+](=O)[O-])N=CN3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O4/c20-18(21)11-6-10-12(17-8-16-10)14(19(22)23)13(11)15-7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H,16,17)