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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4-(4-bromophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-(4-bromophenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(4-bromophenyl)-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-bromophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 4-(4-bromophenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid piperonyl ester Formula: C20H17BrN2O5 MolecularWeight: 445.26338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O5/c1-11-17(18(23-20(25)22-11)13-3-5-14(21)6-4-13)19(24)26-9-12-2-7-15-16(8-12)28-10-27-15/h2-8,17-18H,1,9-10H2,(H2,22,23,25)