2,2,5,5-tetramethyl-4H-1,3-benzodioxepine-7-carbonitrile

Systemtic Name: 2,2,5,5-tetramethyl-4H-1,3-benzodioxepine-7-carbonitrile Openeye Name: 2,2,5,5-tetramethyl-4H-1,3-benzodioxepine-7-carbonitrile CAS Name: 2,2,5,5-tetramethyl-4H-1,3-benzodioxepin-7-carbonitrile IUPAC Name: 2,2,5,5-tetramethyl-4H-1,3-benzodioxepine-7-carbonitrile Traditional Name: 2,2,5,5-tetramethyl-4H-1,3-benzodioxepin-7-carbonitrile Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC2=C1C=C(C=C2)C#N)(C)C)C

Isomeric SMILES

CC1(COC(OC2=C1C=C(C=C2)C#N)(C)C)C

InChI

InChI=1S/C14H17NO2/c1-13(2)9-16-14(3,4)17-12-6-5-10(8-15)7-11(12)13/h5-7H,9H2,1-4H3