4-(2-cyanoethoxy)-2,3-dimethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(2-cyanoethoxy)-2,3-dimethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-cyanoethoxy)-2,3-dimethyl-4-oxo-butanoic acid CAS Name: 4-(2-cyanoethoxy)-2,3-dimethyl-4-oxobutanoic acid IUPAC Name: 4-(2-cyanoethoxy)-2,3-dimethyl-4-oxobutanoic acid Traditional Name: 4-(2-cyanoethoxy)-4-keto-2,3-dimethyl-butyric acid Formula: C9H13NO4 MolecularWeight: 199.20382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)C(=O)OCCC#N)C(=O)O

Isomeric SMILES

CC(C(C)C(=O)OCCC#N)C(=O)O

InChI

InChI=1S/C9H13NO4/c1-6(8(11)12)7(2)9(13)14-5-3-4-10/h6-7H,3,5H2,1-2H3,(H,11,12)