5-nitro-6-(3-oxidanylpropylamino)-1,3-dihydrobenzimidazol-2-one

Systemtic Name: 5-nitro-6-(3-oxidanylpropylamino)-1,3-dihydrobenzimidazol-2-one Openeye Name: 5-(3-hydroxypropylamino)-6-nitro-1,3-dihydrobenzimidazol-2-one CAS Name: 5-(3-hydroxypropylamino)-6-nitro-1,3-dihydrobenzimidazol-2-one IUPAC Name: 5-(3-hydroxypropylamino)-6-nitro-1,3-dihydrobenzimidazol-2-one Traditional Name: 5-(3-hydroxypropylamino)-6-nitro-1,3-dihydrobenzimidazol-2-one Formula: C10H12N4O4 MolecularWeight: 252.22668

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1NCCCO)[N+](=O)[O-])NC(=O)N2

Isomeric SMILES

C1=C2C(=CC(=C1NCCCO)[N+](=O)[O-])NC(=O)N2

InChI

InChI=1S/C10H12N4O4/c15-3-1-2-11-8-4-6-7(13-10(16)12-6)5-9(8)14(17)18/h4-5,11,15H,1-3H2,(H2,12,13,16)