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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4-methylidene-6-(3-nitrophenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-methylene-6-(3-nitrophenyl)-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-methylene-6-(3-nitrophenyl)-2-oxo-1,3-diazinane-5-carboxylic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 4-methylidene-6-(3-nitrophenyl)-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 2-keto-4-methylene-6-(3-nitrophenyl)hexahydropyrimidine-5-carboxylic acid piperonyl ester Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C=C1C(C(NC(=O)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17N3O7/c1-11-17(19(24)28-9-12-5-6-15-16(7-12)30-10-29-15)18(22-20(25)21-11)13-3-2-4-14(8-13)23(26)27/h2-8,17-18H,1,9-10H2,(H2,21,22,25)