O1-[5-(iodanylmethyl)pyrrolidin-3-yl] O4-[nitro(phenyl)methyl] benzene-1,4-dicarboxylate

Systemtic Name: O1-[5-(iodanylmethyl)pyrrolidin-3-yl] O4-[nitro(phenyl)methyl] benzene-1,4-dicarboxylate Openeye Name: O1-[5-(iodomethyl)pyrrolidin-3-yl] O4-[nitro(phenyl)methyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-[5-(iodomethyl)-3-pyrrolidinyl] ester O4-[nitro(phenyl)methyl] ester IUPAC Name: 1-O-[5-(iodomethyl)pyrrolidin-3-yl] 4-O-[nitro(phenyl)methyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O1-[5-(iodomethyl)pyrrolidin-3-yl] ester O4-[nitro(phenyl)methyl] ester Formula: C20H19IN2O6 MolecularWeight: 510.27913

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1CI)OC(=O)C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(CNC1CI)OC(=O)C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19IN2O6/c21-11-16-10-17(12-22-16)28-19(24)14-6-8-15(9-7-14)20(25)29-18(23(26)27)13-4-2-1-3-5-13/h1-9,16-18,22H,10-12H2