1,3-benzodioxol-5-ylmethyl 4-methylidene-2-oxidanylidene-6-phenyl-1,3-diazinane-5-carboxylate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4-methylidene-2-oxidanylidene-6-phenyl-1,3-diazinane-5-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-methylene-2-oxo-6-phenyl-hexahydropyrimidine-5-carboxylate CAS Name: 4-methylene-2-oxo-6-phenyl-1,3-diazinane-5-carboxylic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 4-methylidene-2-oxo-6-phenyl-1,3-diazinane-5-carboxylate Traditional Name: 2-keto-4-methylene-6-phenyl-hexahydropyrimidine-5-carboxylic acid piperonyl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC=CC=C2)C(=O)OCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C=C1C(C(NC(=O)N1)C2=CC=CC=C2)C(=O)OCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N2O5/c1-12-17(18(22-20(24)21-12)14-5-3-2-4-6-14)19(23)25-10-13-7-8-15-16(9-13)27-11-26-15/h2-9,17-18H,1,10-11H2,(H2,21,22,24)