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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4-(3-methoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-(3-methoxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(3-methoxyphenyl)-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-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 2-keto-4-(3-methoxyphenyl)-6-methylene-hexahydropyrimidine-5-carboxylic acid piperonyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O6/c1-12-18(19(23-21(25)22-12)14-4-3-5-15(9-14)26-2)20(24)27-10-13-6-7-16-17(8-13)29-11-28-16/h3-9,18-19H,1,10-11H2,2H3,(H2,22,23,25)