(4,5-dimethoxy-2-nitro-phenyl)methyl 2-(2,1,3-benzoxadiazol-5-ylcarbonyl)pyrazolidine-1-carboxylate

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)methyl 2-(2,1,3-benzoxadiazol-5-ylcarbonyl)pyrazolidine-1-carboxylate Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)methyl 2-(2,1,3-benzoxadiazole-5-carbonyl)pyrazolidine-1-carboxylate CAS Name: 2-[2,1,3-benzoxadiazol-5-yl(oxo)methyl]-1-pyrazolidinecarboxylic acid (4,5-dimethoxy-2-nitrophenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methyl 2-(2,1,3-benzoxadiazole-5-carbonyl)pyrazolidine-1-carboxylate Traditional Name: 2-(benzofurazan-5-carbonyl)pyrazolidine-1-carboxylic acid (4,5-dimethoxy-2-nitro-benzyl) ester Formula: C20H19N5O8 MolecularWeight: 457.39356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)N2CCCN2C(=O)C3=CC4=NON=C4C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)N2CCCN2C(=O)C3=CC4=NON=C4C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H19N5O8/c1-30-17-9-13(16(25(28)29)10-18(17)31-2)11-32-20(27)24-7-3-6-23(24)19(26)12-4-5-14-15(8-12)22-33-21-14/h4-5,8-10H,3,6-7,11H2,1-2H3