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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4-(3-methoxy-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-(4-hydroxy-3-methoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(4-hydroxy-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-(4-hydroxy-3-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 4-(4-hydroxy-3-methoxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid piperonyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O7/c1-11-18(20(25)28-9-12-3-6-15-17(7-12)30-10-29-15)19(23-21(26)22-11)13-4-5-14(24)16(8-13)27-2/h3-8,18-19,24H,1,9-10H2,2H3,(H2,22,23,26)