O1-[(4,5-dimethoxy-2-nitro-phenyl)methyl] O2-(phenylmethyl) pyrazolidine-1,2-dicarboxylate

Systemtic Name: O1-[(4,5-dimethoxy-2-nitro-phenyl)methyl] O2-(phenylmethyl) pyrazolidine-1,2-dicarboxylate Openeye Name: O2-benzyl O1-[(4,5-dimethoxy-2-nitro-phenyl)methyl] pyrazolidine-1,2-dicarboxylate CAS Name: pyrazolidine-1,2-dicarboxylic acid O1-[(4,5-dimethoxy-2-nitrophenyl)methyl] ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 1-O-[(4,5-dimethoxy-2-nitrophenyl)methyl] pyrazolidine-1,2-dicarboxylate Traditional Name: pyrazolidine-1,2-dicarboxylic acid O2-benzyl ester O1-(4,5-dimethoxy-2-nitro-benzyl) ester Formula: C21H23N3O8 MolecularWeight: 445.42262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O8/c1-29-18-11-16(17(24(27)28)12-19(18)30-2)14-32-21(26)23-10-6-9-22(23)20(25)31-13-15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10,13-14H2,1-2H3