2,2,5-trimethyl-3H-1-benzofuran-7-carbonitrile

Systemtic Name: 2,2,5-trimethyl-3H-1-benzofuran-7-carbonitrile Openeye Name: 2,2,5-trimethyl-3H-benzofuran-7-carbonitrile CAS Name: 2,2,5-trimethyl-3H-benzofuran-7-carbonitrile IUPAC Name: 2,2,5-trimethyl-3H-1-benzofuran-7-carbonitrile Traditional Name: 2,2,5-trimethylcoumaran-7-carbonitrile Formula: C12H13NO MolecularWeight: 187.23772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)C#N)OC(C2)(C)C

Isomeric SMILES

CC1=CC2=C(C(=C1)C#N)OC(C2)(C)C

InChI

InChI=1S/C12H13NO/c1-8-4-9-6-12(2,3)14-11(9)10(5-8)7-13/h4-5H,6H2,1-3H3