2-(1,3-benzodioxol-5-yl)-1-[2-(3,4,5-trimethoxy-2-nitro-phenyl)carbonylpyrazolidin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1-[2-(3,4,5-trimethoxy-2-nitro-phenyl)carbonylpyrazolidin-1-yl]ethanone Openeye Name: 2-(1,3-benzodioxol-5-yl)-1-[2-(3,4,5-trimethoxy-2-nitro-benzoyl)pyrazolidin-1-yl]ethanone CAS Name: 2-(1,3-benzodioxol-5-yl)-1-[2-[oxo-(3,4,5-trimethoxy-2-nitrophenyl)methyl]-1-pyrazolidinyl]ethanone IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-[2-(3,4,5-trimethoxy-2-nitrobenzoyl)pyrazolidin-1-yl]ethanone Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-[2-(3,4,5-trimethoxy-2-nitro-benzoyl)pyrazolidin-1-yl]ethanone Formula: C22H23N3O9 MolecularWeight: 473.43272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)N2CCCN2C(=O)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)N2CCCN2C(=O)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C22H23N3O9/c1-30-17-11-14(19(25(28)29)21(32-3)20(17)31-2)22(27)24-8-4-7-23(24)18(26)10-13-5-6-15-16(9-13)34-12-33-15/h5-6,9,11H,4,7-8,10,12H2,1-3H3