3-cyano-3-(2,5-dimethylphenyl)-2-oxidanylidene-propanoic acid

Systemtic Name: 3-cyano-3-(2,5-dimethylphenyl)-2-oxidanylidene-propanoic acid Openeye Name: 3-cyano-3-(2,5-dimethylphenyl)-2-oxo-propanoic acid CAS Name: 3-cyano-3-(2,5-dimethylphenyl)-2-oxopropanoic acid IUPAC Name: 3-cyano-3-(2,5-dimethylphenyl)-2-oxopropanoic acid Traditional Name: 3-cyano-3-(2,5-dimethylphenyl)-2-keto-propionic acid Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C#N)C(=O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C#N)C(=O)C(=O)O

InChI

InChI=1S/C12H11NO3/c1-7-3-4-8(2)9(5-7)10(6-13)11(14)12(15)16/h3-5,10H,1-2H3,(H,15,16)