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

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)methyl 2-(4-bromophenyl)carbonylpyrazolidine-1-carboxylate Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)methyl 2-(4-bromobenzoyl)pyrazolidine-1-carboxylate CAS Name: 2-[(4-bromophenyl)-oxomethyl]-1-pyrazolidinecarboxylic acid (4,5-dimethoxy-2-nitrophenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methyl 2-(4-bromobenzoyl)pyrazolidine-1-carboxylate Traditional Name: 2-(4-bromobenzoyl)pyrazolidine-1-carboxylic acid (4,5-dimethoxy-2-nitro-benzyl) ester Formula: C20H20BrN3O7 MolecularWeight: 494.2927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O7/c1-29-17-10-14(16(24(27)28)11-18(17)30-2)12-31-20(26)23-9-3-8-22(23)19(25)13-4-6-15(21)7-5-13/h4-7,10-11H,3,8-9,12H2,1-2H3