(4,5-dimethoxy-2-nitro-phenyl)methyl 2-(2-methylsulfonylphenyl)carbonylpyrazolidine-1-carboxylate

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)methyl 2-(2-methylsulfonylphenyl)carbonylpyrazolidine-1-carboxylate Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)methyl 2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carboxylate CAS Name: 2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinecarboxylic acid (4,5-dimethoxy-2-nitrophenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methyl 2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carboxylate Traditional Name: 2-(2-mesylbenzoyl)pyrazolidine-1-carboxylic acid (4,5-dimethoxy-2-nitro-benzyl) ester Formula: C21H23N3O9S MolecularWeight: 493.48702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)N2CCCN2C(=O)C3=CC=CC=C3S(=O)(=O)C)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)N2CCCN2C(=O)C3=CC=CC=C3S(=O)(=O)C)[N+](=O)[O-])OC

InChI

InChI=1S/C21H23N3O9S/c1-31-17-11-14(16(24(27)28)12-18(17)32-2)13-33-21(26)23-10-6-9-22(23)20(25)15-7-4-5-8-19(15)34(3,29)30/h4-5,7-8,11-12H,6,9-10,13H2,1-3H3