2-(3-cyano-2,4-dimethyl-phenyl)ethanoic acid

Systemtic Name: 2-(3-cyano-2,4-dimethyl-phenyl)ethanoic acid Openeye Name: 2-(3-cyano-2,4-dimethyl-phenyl)acetic acid CAS Name: 2-(3-cyano-2,4-dimethylphenyl)acetic acid IUPAC Name: 2-(3-cyano-2,4-dimethylphenyl)acetic acid Traditional Name: 2-(3-cyano-2,4-dimethyl-phenyl)acetic acid Formula: C11H11NO2 MolecularWeight: 189.21054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO2/c1-7-3-4-9(5-11(13)14)8(2)10(7)6-12/h3-4H,5H2,1-2H3,(H,13,14)