1-[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: 4-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyrrolidine-2-carboxylate CAS Name: 4-hydroxy-1-[(6-nitro-1,3-benzodioxol-5-yl)-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: 4-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 4-hydroxy-1-(6-nitropiperonyloyl)pyrrolidine-2-carboxylate Formula: C13H11N2O8- MolecularWeight: 323.23504

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)[O-])C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)O

Isomeric SMILES

C1C(CN(C1C(=O)[O-])C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)O

InChI

InChI=1S/C13H12N2O8/c16-6-1-9(13(18)19)14(4-6)12(17)7-2-10-11(23-5-22-10)3-8(7)15(20)21/h2-3,6,9,16H,1,4-5H2,(H,18,19)/p-1