1,3-benzodioxol-5-ylmethyl 4-(3,4-dimethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4-(3,4-dimethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-(3,4-dimethoxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 4-(3,4-dimethoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid piperonyl ester Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)OCC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)OCC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C22H22N2O7/c1-12-19(21(25)29-10-13-4-6-16-18(8-13)31-11-30-16)20(24-22(26)23-12)14-5-7-15(27-2)17(9-14)28-3/h4-9,19-20H,1,10-11H2,2-3H3,(H2,23,24,26)