[2-(5-nitrooxypentyl)phenyl]carbonyl pyridine-3-carboperoxoate

Systemtic Name: [2-(5-nitrooxypentyl)phenyl]carbonyl pyridine-3-carboperoxoate Openeye Name: [2-(5-nitrooxypentyl)benzoyl] pyridine-3-carboperoxoate CAS Name: 3-pyridinecarboperoxoic acid [[2-(5-nitrooxypentyl)phenyl]-oxomethyl] ester IUPAC Name: [2-(5-nitrooxypentyl)benzoyl] pyridine-3-carboperoxoate Traditional Name: pyridine-3-carboperoxoic acid [2-(5-nitrooxypentyl)benzoyl] ester Formula: C18H18N2O7 MolecularWeight: 374.34472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCCCCO[N+](=O)[O-])C(=O)OOC(=O)C2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C(=C1)CCCCCO[N+](=O)[O-])C(=O)OOC(=O)C2=CN=CC=C2

InChI

InChI=1S/C18H18N2O7/c21-17(15-9-6-11-19-13-15)26-27-18(22)16-10-4-3-8-14(16)7-2-1-5-12-25-20(23)24/h3-4,6,8-11,13H,1-2,5,7,12H2