(1-cyanoindolizin-2-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C18H11N3O6 MolecularWeight: 365.29644

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=CN4C=CC=CC4=C3C#N)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=CN4C=CC=CC4=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H11N3O6/c19-7-13-11(8-20-4-2-1-3-14(13)20)9-25-18(22)12-5-16-17(27-10-26-16)6-15(12)21(23)24/h1-6,8H,9-10H2