methyl 5-cyano-5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl 5-cyano-5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 5-cyano-5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-2-oxo-cyclohexanecarboxylate CAS Name: 5-cyano-5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-2-oxocyclohexane-1-carboxylate Traditional Name: 5-cyano-2-keto-5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexanecarboxylic acid methyl ester Formula: C18H19NO6 MolecularWeight: 345.34656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3(CCC(=O)C(C3)C(=O)OC)C#N)OCCO2

Isomeric SMILES

COC1=C2C(=C(C=C1)C3(CCC(=O)C(C3)C(=O)OC)C#N)OCCO2

InChI

InChI=1S/C18H19NO6/c1-22-14-4-3-12(15-16(14)25-8-7-24-15)18(10-19)6-5-13(20)11(9-18)17(21)23-2/h3-4,11H,5-9H2,1-2H3