(4,5-dimethoxy-2-nitro-phenyl)methyl 2-(2,6-dimethoxypyridin-3-yl)carbonylpyrazolidine-1-carboxylate

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)methyl 2-(2,6-dimethoxypyridin-3-yl)carbonylpyrazolidine-1-carboxylate Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)methyl 2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carboxylate CAS Name: 2-[(2,6-dimethoxy-3-pyridinyl)-oxomethyl]-1-pyrazolidinecarboxylic acid (4,5-dimethoxy-2-nitrophenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methyl 2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carboxylate Traditional Name: 2-(2,6-dimethoxynicotinoyl)pyrazolidine-1-carboxylic acid (4,5-dimethoxy-2-nitro-benzyl) ester Formula: C21H24N4O9 MolecularWeight: 476.43666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)C(=O)N2CCCN2C(=O)OCC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

COC1=NC(=C(C=C1)C(=O)N2CCCN2C(=O)OCC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C21H24N4O9/c1-30-16-10-13(15(25(28)29)11-17(16)31-2)12-34-21(27)24-9-5-8-23(24)20(26)14-6-7-18(32-3)22-19(14)33-4/h6-7,10-11H,5,8-9,12H2,1-4H3