2,2-dimethyl-5-nitro-benzimidazole trihydrate

Systemtic Name: 2,2-dimethyl-5-nitro-benzimidazole trihydrate Openeye Name: 2,2-dimethyl-5-nitro-benzimidazole trihydrate CAS Name: 2,2-dimethyl-5-nitrobenzimidazole trihydrate IUPAC Name: 2,2-dimethyl-5-nitrobenzimidazole trihydrate Traditional Name: 2,2-dimethyl-5-nitro-benzimidazole trihydrate Formula: C9H15N3O5 MolecularWeight: 245.2325

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=C2C=CC(=CC2=N1)[N+](=O)[O-])C.O.O.O

Isomeric SMILES

CC1(N=C2C=CC(=CC2=N1)[N+](=O)[O-])C.O.O.O

InChI

InChI=1S/C9H9N3O2.3H2O/c1-9(2)10-7-4-3-6(12(13)14)5-8(7)11-9;;;/h3-5H,1-2H3;3*1H2