bis(phenylmethyl) 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: bis(phenylmethyl) 5-nitrobenzene-1,3-dicarboxylate Openeye Name: dibenzyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid dibenzyl ester Formula: C22H17NO6 MolecularWeight: 391.37348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17NO6/c24-21(28-14-16-7-3-1-4-8-16)18-11-19(13-20(12-18)23(26)27)22(25)29-15-17-9-5-2-6-10-17/h1-13H,14-15H2