2-(2-methyl-5-nitro-imidazol-1-yl)ethanol; nonanedioic acid

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol; nonanedioic acid Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol; nonanedioic acid CAS Name: 2-(2-methyl-5-nitro-1-imidazolyl)ethanol; nonanedioic acid IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol; nonanedioic acid Traditional Name: azelaic acid; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol Formula: C15H25N3O7 MolecularWeight: 359.3749

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCO)[N+](=O)[O-].C(CCCC(=O)O)CCCC(=O)O

Isomeric SMILES

CC1=NC=C(N1CCO)[N+](=O)[O-].C(CCCC(=O)O)CCCC(=O)O

InChI

InChI=1S/C9H16O4.C6H9N3O3/c10-8(11)6-4-2-1-3-5-7-9(12)13;1-5-7-4-6(9(11)12)8(5)2-3-10/h1-7H2,(H,10,11)(H,12,13);4,10H,2-3H2,1H3