N-(1H-benzimidazol-2-ylmethyl)-2,4-dinitro-aniline

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-2,4-dinitro-aniline Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-2,4-dinitro-aniline CAS Name: N-(1H-benzimidazol-2-ylmethyl)-2,4-dinitroaniline IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-2,4-dinitroaniline Traditional Name: 1H-benzimidazol-2-ylmethyl-(2,4-dinitrophenyl)amine Formula: C14H11N5O4 MolecularWeight: 313.26824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

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