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

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)methyl 2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidine-1-carboxylate Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)methyl 2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carboxylate CAS Name: 2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]-1-pyrazolidinecarboxylic acid (4,5-dimethoxy-2-nitrophenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methyl 2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carboxylate Traditional Name: 2-[2-(4-mesylphenyl)acetyl]pyrazolidine-1-carboxylic acid (4,5-dimethoxy-2-nitro-benzyl) ester Formula: C22H25N3O9S MolecularWeight: 507.5136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O9S/c1-32-19-12-16(18(25(28)29)13-20(19)33-2)14-34-22(27)24-10-4-9-23(24)21(26)11-15-5-7-17(8-6-15)35(3,30)31/h5-8,12-13H,4,9-11,14H2,1-3H3