(2-butyl-1-methyl-5-nitro-imidazol-4-yl)methanol

Systemtic Name: (2-butyl-1-methyl-5-nitro-imidazol-4-yl)methanol Openeye Name: (2-butyl-1-methyl-5-nitro-imidazol-4-yl)methanol CAS Name: (2-butyl-1-methyl-5-nitro-4-imidazolyl)methanol IUPAC Name: (2-butyl-1-methyl-5-nitroimidazol-4-yl)methanol Traditional Name: (2-butyl-1-methyl-5-nitro-imidazol-4-yl)methanol Formula: C9H15N3O3 MolecularWeight: 213.2337

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1C)[N+](=O)[O-])CO

Isomeric SMILES

CCCCC1=NC(=C(N1C)[N+](=O)[O-])CO

InChI

InChI=1S/C9H15N3O3/c1-3-4-5-8-10-7(6-13)9(11(8)2)12(14)15/h13H,3-6H2,1-2H3