4,5,5-trimethyl-2-(3-nitrophenyl)-1-oxidanidyl-imidazol-1-ium

Systemtic Name: 4,5,5-trimethyl-2-(3-nitrophenyl)-1-oxidanidyl-imidazol-1-ium Openeye Name: 4,5,5-trimethyl-2-(3-nitrophenyl)-1-oxido-imidazol-1-ium CAS Name: 4,5,5-trimethyl-2-(3-nitrophenyl)-1-oxidoimidazol-1-ium IUPAC Name: 4,5,5-trimethyl-2-(3-nitrophenyl)-1-oxidoimidazol-1-ium Traditional Name: 4,5,5-trimethyl-2-(3-nitrophenyl)-1-oxido-imidazol-1-ium Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=[N+](C1(C)C)[O-])C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=[N+](C1(C)C)[O-])C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O3/c1-8-12(2,3)14(16)11(13-8)9-5-4-6-10(7-9)15(17)18/h4-7H,1-3H3