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

Systemtic Name: diethyl 1-[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]-5-oxidanyl-pyrrolidine-2,2-dicarboxylate Openeye Name: diethyl 5-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyrrolidine-2,2-dicarboxylate CAS Name: 5-hydroxy-1-[(6-nitro-1,3-benzodioxol-5-yl)-oxomethyl]pyrrolidine-2,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyrrolidine-2,2-dicarboxylate Traditional Name: 5-hydroxy-1-(6-nitropiperonyloyl)pyrrolidine-2,2-dicarboxylic acid diethyl ester Formula: C18H20N2O10 MolecularWeight: 424.3588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC(N1C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CCC(N1C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)O)C(=O)OCC

InChI

InChI=1S/C18H20N2O10/c1-3-27-16(23)18(17(24)28-4-2)6-5-14(21)19(18)15(22)10-7-12-13(30-9-29-12)8-11(10)20(25)26/h7-8,14,21H,3-6,9H2,1-2H3