4-[(3,5-dimethyl-1-benzofuran-2-yl)carbonyl]benzenecarbonitrile

Systemtic Name: 4-[(3,5-dimethyl-1-benzofuran-2-yl)carbonyl]benzenecarbonitrile Openeye Name: 4-(3,5-dimethylbenzofuran-2-carbonyl)benzonitrile CAS Name: 4-[(3,5-dimethyl-2-benzofuranyl)-oxomethyl]benzonitrile IUPAC Name: 4-(3,5-dimethyl-1-benzofuran-2-carbonyl)benzonitrile Traditional Name: 4-(3,5-dimethylbenzofuran-2-carbonyl)benzonitrile Formula: C18H13NO2 MolecularWeight: 275.30132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H13NO2/c1-11-3-8-16-15(9-11)12(2)18(21-16)17(20)14-6-4-13(10-19)5-7-14/h3-9H,1-2H3