5,6-dinitro-N-(phenylmethyl)-1H-benzimidazol-2-amine

Systemtic Name: 5,6-dinitro-N-(phenylmethyl)-1H-benzimidazol-2-amine Openeye Name: N-benzyl-5,6-dinitro-1H-benzimidazol-2-amine CAS Name: 5,6-dinitro-N-(phenylmethyl)-1H-benzimidazol-2-amine IUPAC Name: N-benzyl-5,6-dinitro-1H-benzimidazol-2-amine Traditional Name: benzyl-(5,6-dinitro-1H-benzimidazol-2-yl)amine Formula: C14H11N5O4 MolecularWeight: 313.26824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC3=CC(=C(C=C3N2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC3=CC(=C(C=C3N2)[N+](=O)[O-])[N+](=O)[O-]

InChI

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