2-[2-(hydroxymethyl)-5-nitro-benzimidazol-1-yl]butan-1-ol

Systemtic Name: 2-[2-(hydroxymethyl)-5-nitro-benzimidazol-1-yl]butan-1-ol Openeye Name: 2-[2-(hydroxymethyl)-5-nitro-benzimidazol-1-yl]butan-1-ol CAS Name: 2-[2-(hydroxymethyl)-5-nitro-1-benzimidazolyl]-1-butanol IUPAC Name: 2-[2-(hydroxymethyl)-5-nitrobenzimidazol-1-yl]butan-1-ol Traditional Name: 2-(2-methylol-5-nitro-benzimidazol-1-yl)butan-1-ol Formula: C12H15N3O4 MolecularWeight: 265.2652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)N1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CO

Isomeric SMILES

CCC(CO)N1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CO

InChI

InChI=1S/C12H15N3O4/c1-2-8(6-16)14-11-4-3-9(15(18)19)5-10(11)13-12(14)7-17/h3-5,8,16-17H,2,6-7H2,1H3