4-[1-(2-methyl-5-nitro-imidazol-1-yl)propan-2-yloxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1-(2-methyl-5-nitro-imidazol-1-yl)propan-2-yloxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-methyl-2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-4-oxo-butanoic acid CAS Name: 4-[1-(2-methyl-5-nitro-1-imidazolyl)propan-2-yloxy]-4-oxobutanoic acid IUPAC Name: 4-[1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yloxy]-4-oxobutanoic acid Traditional Name: 4-keto-4-[1-methyl-2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]butyric acid Formula: C11H15N3O6 MolecularWeight: 285.2533

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O6/c1-7(20-11(17)4-3-10(15)16)6-13-8(2)12-5-9(13)14(18)19/h5,7H,3-4,6H2,1-2H3,(H,15,16)