N-(1,3-benzodioxol-5-ylcarbonyl)-2-cyano-aziridine-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbonyl)-2-cyano-aziridine-1-carboxamide Openeye Name: N-(1,3-benzodioxole-5-carbonyl)-2-cyano-aziridine-1-carboxamide CAS Name: N-[1,3-benzodioxol-5-yl(oxo)methyl]-2-cyano-1-aziridinecarboxamide IUPAC Name: N-(1,3-benzodioxole-5-carbonyl)-2-cyanoaziridine-1-carboxamide Traditional Name: 2-cyano-N-piperonyloyl-ethylenimine-1-carboxamide Formula: C12H9N3O4 MolecularWeight: 259.21756

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N1C(=O)NC(=O)C2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

C1C(N1C(=O)NC(=O)C2=CC3=C(C=C2)OCO3)C#N

InChI

InChI=1S/C12H9N3O4/c13-4-8-5-15(8)12(17)14-11(16)7-1-2-9-10(3-7)19-6-18-9/h1-3,8H,5-6H2,(H,14,16,17)