(2-chloranyl-5-cyano-3,3-dimethyl-1-benzofuran-2-yl) ethanoate

Systemtic Name: (2-chloranyl-5-cyano-3,3-dimethyl-1-benzofuran-2-yl) ethanoate Openeye Name: (2-chloro-5-cyano-3,3-dimethyl-benzofuran-2-yl) acetate CAS Name: acetic acid (2-chloro-5-cyano-3,3-dimethyl-2-benzofuranyl) ester IUPAC Name: (2-chloro-5-cyano-3,3-dimethyl-1-benzofuran-2-yl) acetate Traditional Name: acetic acid (2-chloro-5-cyano-3,3-dimethyl-coumaran-2-yl) ester Formula: C13H12ClNO3 MolecularWeight: 265.69228

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(C(C2=C(O1)C=CC(=C2)C#N)(C)C)Cl

Isomeric SMILES

CC(=O)OC1(C(C2=C(O1)C=CC(=C2)C#N)(C)C)Cl

InChI

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