[2-chloranyl-5-cyano-3-(2-methyl-1-oxidanylidene-propan-2-yl)phenyl] ethanoate

Systemtic Name: [2-chloranyl-5-cyano-3-(2-methyl-1-oxidanylidene-propan-2-yl)phenyl] ethanoate Openeye Name: [2-chloro-5-cyano-3-(1,1-dimethyl-2-oxo-ethyl)phenyl] acetate CAS Name: acetic acid [2-chloro-5-cyano-3-(2-methyl-1-oxopropan-2-yl)phenyl] ester IUPAC Name: [2-chloro-5-cyano-3-(2-methyl-1-oxopropan-2-yl)phenyl] acetate Traditional Name: acetic acid [2-chloro-5-cyano-3-(2-keto-1,1-dimethyl-ethyl)phenyl] ester Formula: C13H12ClNO3 MolecularWeight: 265.69228

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=CC(=C1Cl)C(C)(C)C=O)C#N

Isomeric SMILES

CC(=O)OC1=CC(=CC(=C1Cl)C(C)(C)C=O)C#N

InChI

InChI=1S/C13H12ClNO3/c1-8(17)18-11-5-9(6-15)4-10(12(11)14)13(2,3)7-16/h4-5,7H,1-3H3