(phenylmethyl) 2-(4-cyanophenyl)-5-nitro-benzenecarboperoxoate

Systemtic Name: (phenylmethyl) 2-(4-cyanophenyl)-5-nitro-benzenecarboperoxoate Openeye Name: benzyl 2-(4-cyanophenyl)-5-nitro-benzenecarboperoxoate CAS Name: 2-(4-cyanophenyl)-5-nitrobenzenecarboperoxoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-cyanophenyl)-5-nitrobenzenecarboperoxoate Traditional Name: 2-(4-cyanophenyl)-5-nitro-benzenecarboperoxoic acid benzyl ester Formula: C21H14N2O5 MolecularWeight: 374.34626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COOC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)COOC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H14N2O5/c22-13-15-6-8-17(9-7-15)19-11-10-18(23(25)26)12-20(19)21(24)28-27-14-16-4-2-1-3-5-16/h1-12H,14H2