2,2-dimethyl-5-nitro-3-oxidanidyl-benzimidazol-1-ium 1-oxide trihydrate

Systemtic Name: 2,2-dimethyl-5-nitro-3-oxidanidyl-benzimidazol-1-ium 1-oxide trihydrate Openeye Name: 2,2-dimethyl-5-nitro-3-oxido-benzimidazol-1-ium 1-oxide trihydrate CAS Name: 2,2-dimethyl-5-nitro-3-oxidobenzimidazol-1-ium 1-oxide trihydrate IUPAC Name: 2,2-dimethyl-5-nitro-3-oxidobenzimidazol-1-ium 1-oxide trihydrate Traditional Name: 2,2-dimethyl-5-nitro-3-oxido-benzimidazol-1-ium 1-oxide trihydrate Formula: C9H15N3O7 MolecularWeight: 277.2313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N3O4.3H2O/c1-9(2)10(13)7-4-3-6(12(15)16)5-8(7)11(9)14;;;/h3-5H,1-2H3;3*1H2