methyl 5-cyano-5-(7-methoxy-2,2-dimethyl-1,3-benzodioxol-4-yl)-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl 5-cyano-5-(7-methoxy-2,2-dimethyl-1,3-benzodioxol-4-yl)-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 5-cyano-5-(7-methoxy-2,2-dimethyl-1,3-benzodioxol-4-yl)-2-oxo-cyclohexanecarboxylate CAS Name: 5-cyano-5-(7-methoxy-2,2-dimethyl-1,3-benzodioxol-4-yl)-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-5-(7-methoxy-2,2-dimethyl-1,3-benzodioxol-4-yl)-2-oxocyclohexane-1-carboxylate Traditional Name: 5-cyano-2-keto-5-(7-methoxy-2,2-dimethyl-1,3-benzodioxol-4-yl)cyclohexanecarboxylic acid methyl ester Formula: C19H21NO6 MolecularWeight: 359.37314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO6/c1-18(2)25-15-12(5-6-14(23-3)16(15)26-18)19(10-20)8-7-13(21)11(9-19)17(22)24-4/h5-6,11H,7-9H2,1-4H3