(E)-2-(1-adamantylcarbonyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(1-adamantylcarbonyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enenitrile Openeye Name: (E)-2-(adamantane-1-carbonyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enenitrile CAS Name: (E)-2-[1-adamantyl(oxo)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenenitrile IUPAC Name: (E)-2-(adamantane-1-carbonyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enenitrile Traditional Name: (E)-2-(adamantane-1-carbonyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)acrylonitrile Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C=C(C#N)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)/C=C(\C#N)/C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H23NO3/c23-13-18(8-14-1-2-19-20(9-14)26-4-3-25-19)21(24)22-10-15-5-16(11-22)7-17(6-15)12-22/h1-2,8-9,15-17H,3-7,10-12H2/b18-8+