1-(7-methoxy-2,2-dimethyl-1,3-benzodioxol-4-yl)-4-oxidanylidene-cyclohexane-1-carbonitrile

Systemtic Name: 1-(7-methoxy-2,2-dimethyl-1,3-benzodioxol-4-yl)-4-oxidanylidene-cyclohexane-1-carbonitrile Openeye Name: 1-(7-methoxy-2,2-dimethyl-1,3-benzodioxol-4-yl)-4-oxo-cyclohexanecarbonitrile CAS Name: 1-(7-methoxy-2,2-dimethyl-1,3-benzodioxol-4-yl)-4-oxo-1-cyclohexanecarbonitrile IUPAC Name: 1-(7-methoxy-2,2-dimethyl-1,3-benzodioxol-4-yl)-4-oxocyclohexane-1-carbonitrile Traditional Name: 4-keto-1-(7-methoxy-2,2-dimethyl-1,3-benzodioxol-4-yl)cyclohexanecarbonitrile Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=C(C=CC(=C2O1)OC)C3(CCC(=O)CC3)C#N)C

Isomeric SMILES

CC1(OC2=C(C=CC(=C2O1)OC)C3(CCC(=O)CC3)C#N)C

InChI

InChI=1S/C17H19NO4/c1-16(2)21-14-12(4-5-13(20-3)15(14)22-16)17(10-18)8-6-11(19)7-9-17/h4-5H,6-9H2,1-3H3