6-(4-methylphenyl)carbonyl-2,3-dihydro-1,4-benzodioxine-7-carbonitrile

Systemtic Name: 6-(4-methylphenyl)carbonyl-2,3-dihydro-1,4-benzodioxine-7-carbonitrile Openeye Name: 6-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbonitrile CAS Name: 6-[(4-methylphenyl)-oxomethyl]-2,3-dihydro-1,4-benzodioxin-7-carbonitrile IUPAC Name: 6-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbonitrile Traditional Name: 6-p-toluoyl-2,3-dihydro-1,4-benzodioxin-7-carbonitrile Formula: C17H13NO3 MolecularWeight: 279.29002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2C#N)OCCO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2C#N)OCCO3

InChI

InChI=1S/C17H13NO3/c1-11-2-4-12(5-3-11)17(19)14-9-16-15(8-13(14)10-18)20-6-7-21-16/h2-5,8-9H,6-7H2,1H3