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

Systemtic Name: 5,5-dimethyl-2-(3-nitrophenyl)-1-oxidanidyl-imidazol-1-ium-4-carbonitrile Openeye Name: 5,5-dimethyl-2-(3-nitrophenyl)-1-oxido-imidazol-1-ium-4-carbonitrile CAS Name: 5,5-dimethyl-2-(3-nitrophenyl)-1-oxido-4-imidazol-1-iumcarbonitrile IUPAC Name: 5,5-dimethyl-2-(3-nitrophenyl)-1-oxidoimidazol-1-ium-4-carbonitrile Traditional Name: 5,5-dimethyl-2-(3-nitrophenyl)-1-oxido-imidazol-1-ium-4-carbonitrile Formula: C12H10N4O3 MolecularWeight: 258.2328

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NC(=[N+]1[O-])C2=CC(=CC=C2)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1(C(=NC(=[N+]1[O-])C2=CC(=CC=C2)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C12H10N4O3/c1-12(2)10(7-13)14-11(15(12)17)8-4-3-5-9(6-8)16(18)19/h3-6H,1-2H3