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

Systemtic Name: diethyl 5-ethoxy-3-methyl-1-[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]pyrrolidine-2,2-dicarboxylate Openeye Name: diethyl 5-ethoxy-3-methyl-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyrrolidine-2,2-dicarboxylate CAS Name: 5-ethoxy-3-methyl-1-[(6-nitro-1,3-benzodioxol-5-yl)-oxomethyl]pyrrolidine-2,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-ethoxy-3-methyl-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyrrolidine-2,2-dicarboxylate Traditional Name: 5-ethoxy-3-methyl-1-(6-nitropiperonyloyl)pyrrolidine-2,2-dicarboxylic acid diethyl ester Formula: C21H26N2O10 MolecularWeight: 466.43854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CC(C(N1C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)(C(=O)OCC)C(=O)OCC)C

Isomeric SMILES

CCOC1CC(C(N1C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)(C(=O)OCC)C(=O)OCC)C

InChI

InChI=1S/C21H26N2O10/c1-5-29-17-8-12(4)21(19(25)30-6-2,20(26)31-7-3)22(17)18(24)13-9-15-16(33-11-32-15)10-14(13)23(27)28/h9-10,12,17H,5-8,11H2,1-4H3