(4,5-dimethoxy-2-nitro-phenyl)methyl 2-[2-(1,3-benzodioxol-5-yl)ethanoyl]pyrazolidine-1-carboxylate

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)methyl 2-[2-(1,3-benzodioxol-5-yl)ethanoyl]pyrazolidine-1-carboxylate Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)methyl 2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidine-1-carboxylate CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-1-pyrazolidinecarboxylic acid (4,5-dimethoxy-2-nitrophenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methyl 2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidine-1-carboxylate Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidine-1-carboxylic acid (4,5-dimethoxy-2-nitro-benzyl) ester Formula: C22H23N3O9 MolecularWeight: 473.43272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O9/c1-30-18-10-15(16(25(28)29)11-19(18)31-2)12-32-22(27)24-7-3-6-23(24)21(26)9-14-4-5-17-20(8-14)34-13-33-17/h4-5,8,10-11H,3,6-7,9,12-13H2,1-2H3