ethyl 6-(1,3-benzodioxol-5-yl)-2-methyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate

Systemtic Name: ethyl 6-(1,3-benzodioxol-5-yl)-2-methyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Openeye Name: ethyl 6-(1,3-benzodioxol-5-yl)-2-methyl-4-oxo-cyclohex-2-ene-1-carboxylate CAS Name: 6-(1,3-benzodioxol-5-yl)-2-methyl-4-oxo-1-cyclohex-2-enecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(1,3-benzodioxol-5-yl)-2-methyl-4-oxocyclohex-2-ene-1-carboxylate Traditional Name: 6-(1,3-benzodioxol-5-yl)-4-keto-2-methyl-cyclohex-2-ene-1-carboxylic acid ethyl ester Formula: C17H18O5 MolecularWeight: 302.32182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=O)C=C1C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1C(CC(=O)C=C1C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H18O5/c1-3-20-17(19)16-10(2)6-12(18)8-13(16)11-4-5-14-15(7-11)22-9-21-14/h4-7,13,16H,3,8-9H2,1-2H3