2,2,4-trimethyl-3H-1-benzofuran-7-carbonitrile

Systemtic Name: 2,2,4-trimethyl-3H-1-benzofuran-7-carbonitrile Openeye Name: 2,2,4-trimethyl-3H-benzofuran-7-carbonitrile CAS Name: 2,2,4-trimethyl-3H-benzofuran-7-carbonitrile IUPAC Name: 2,2,4-trimethyl-3H-1-benzofuran-7-carbonitrile Traditional Name: 2,2,4-trimethylcoumaran-7-carbonitrile Formula: C12H13NO MolecularWeight: 187.23772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC(OC2=C(C=C1)C#N)(C)C

Isomeric SMILES

CC1=C2CC(OC2=C(C=C1)C#N)(C)C

InChI

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