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

Systemtic Name: bis(phenylmethyl) 5-isocyanatobenzene-1,3-dicarboxylate Openeye Name: dibenzyl 5-isocyanatobenzene-1,3-dicarboxylate CAS Name: 5-isocyanatobenzene-1,3-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 5-isocyanatobenzene-1,3-dicarboxylate Traditional Name: 5-isocyanatobenzene-1,3-dicarboxylic acid dibenzyl ester Formula: C23H17NO5 MolecularWeight: 387.38478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC(=CC(=C2)N=C=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC(=CC(=C2)N=C=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H17NO5/c25-16-24-21-12-19(22(26)28-14-17-7-3-1-4-8-17)11-20(13-21)23(27)29-15-18-9-5-2-6-10-18/h1-13H,14-15H2