3,3-dimethyl-2-oxidanylidene-butanoic acid; 3-(1H-imidazol-2-yl)-2-oxidanylidene-propanoic acid

Systemtic Name: 3,3-dimethyl-2-oxidanylidene-butanoic acid; 3-(1H-imidazol-2-yl)-2-oxidanylidene-propanoic acid Openeye Name: 3,3-dimethyl-2-oxo-butanoic acid; 3-(1H-imidazol-2-yl)-2-oxo-propanoic acid CAS Name: 3,3-dimethyl-2-oxobutanoic acid; 3-(1H-imidazol-2-yl)-2-oxopropanoic acid IUPAC Name: 3,3-dimethyl-2-oxobutanoic acid; 3-(1H-imidazol-2-yl)-2-oxopropanoic acid Traditional Name: 3-(1H-imidazol-2-yl)-2-keto-propionic acid; 2-keto-3,3-dimethyl-butyric acid Formula: C12H16N2O6 MolecularWeight: 284.26524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=O)O.C1=CN=C(N1)CC(=O)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)C(=O)O.C1=CN=C(N1)CC(=O)C(=O)O

InChI

InChI=1S/C6H6N2O3.C6H10O3/c9-4(6(10)11)3-5-7-1-2-8-5;1-6(2,3)4(7)5(8)9/h1-2H,3H2,(H,7,8)(H,10,11);1-3H3,(H,8,9)