3-(2-methyl-5-nitro-imidazol-1-yl)-2-(oxan-2-yloxy)propanoic acid

Systemtic Name: 3-(2-methyl-5-nitro-imidazol-1-yl)-2-(oxan-2-yloxy)propanoic acid Openeye Name: 3-(2-methyl-5-nitro-imidazol-1-yl)-2-tetrahydropyran-2-yloxy-propanoic acid CAS Name: 3-(2-methyl-5-nitro-1-imidazolyl)-2-(2-oxanyloxy)propanoic acid IUPAC Name: 3-(2-methyl-5-nitroimidazol-1-yl)-2-(oxan-2-yloxy)propanoic acid Traditional Name: 3-(2-methyl-5-nitro-imidazol-1-yl)-2-tetrahydropyran-2-yloxy-propionic acid Formula: C12H17N3O6 MolecularWeight: 299.27988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC(C(=O)O)OC2CCCCO2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC(C(=O)O)OC2CCCCO2)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O6/c1-8-13-6-10(15(18)19)14(8)7-9(12(16)17)21-11-4-2-3-5-20-11/h6,9,11H,2-5,7H2,1H3,(H,16,17)