1-(2,4-dinitrophenyl)-3-(imidazol-1-ylmethyl)imidazol-3-ium

Systemtic Name: 1-(2,4-dinitrophenyl)-3-(imidazol-1-ylmethyl)imidazol-3-ium Openeye Name: 1-(2,4-dinitrophenyl)-3-(imidazol-1-ylmethyl)imidazol-3-ium CAS Name: 1-(2,4-dinitrophenyl)-3-(1-imidazolylmethyl)imidazol-3-ium IUPAC Name: 1-(2,4-dinitrophenyl)-3-(imidazol-1-ylmethyl)imidazol-3-ium Traditional Name: 1-(2,4-dinitrophenyl)-3-(imidazol-1-ylmethyl)imidazol-3-ium Formula: C13H11N6O4+ MolecularWeight: 315.26424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2C=C[N+](=C2)CN3C=CN=C3

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2C=C[N+](=C2)CN3C=CN=C3

InChI

InChI=1S/C13H11N6O4/c20-18(21)11-1-2-12(13(7-11)19(22)23)17-6-5-16(10-17)9-15-4-3-14-8-15/h1-8,10H,9H2/q+1