bis[(4-nitrophenyl)methyl] 5-oxidanylbenzene-1,3-dicarboxylate

Systemtic Name: bis[(4-nitrophenyl)methyl] 5-oxidanylbenzene-1,3-dicarboxylate Openeye Name: bis[(4-nitrophenyl)methyl] 5-hydroxybenzene-1,3-dicarboxylate CAS Name: 5-hydroxybenzene-1,3-dicarboxylic acid bis[(4-nitrophenyl)methyl] ester IUPAC Name: bis[(4-nitrophenyl)methyl] 5-hydroxybenzene-1,3-dicarboxylate Traditional Name: 5-hydroxybenzene-1,3-dicarboxylic acid bis(4-nitrobenzyl) ester Formula: C22H16N2O9 MolecularWeight: 452.37044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=CC(=CC(=C2)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=CC(=CC(=C2)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O9/c25-20-10-16(21(26)32-12-14-1-5-18(6-2-14)23(28)29)9-17(11-20)22(27)33-13-15-3-7-19(8-4-15)24(30)31/h1-11,25H,12-13H2