[4-[(Z)-1-nitroprop-1-enyl]phenyl] butaneperoxoate

Systemtic Name: [4-[(Z)-1-nitroprop-1-enyl]phenyl] butaneperoxoate Openeye Name: [4-[(Z)-1-nitroprop-1-enyl]phenyl] butaneperoxoate CAS Name: butaneperoxoic acid [4-[(Z)-1-nitroprop-1-enyl]phenyl] ester IUPAC Name: [4-[(Z)-1-nitroprop-1-enyl]phenyl] butaneperoxoate Traditional Name: peroxybutyric acid [4-[(Z)-1-nitroprop-1-enyl]phenyl] ester Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OOC1=CC=C(C=C1)C(=CC)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)OOC1=CC=C(C=C1)/C(=C/C)/[N+](=O)[O-]

InChI

InChI=1S/C13H15NO5/c1-3-5-13(15)19-18-11-8-6-10(7-9-11)12(4-2)14(16)17/h4,6-9H,3,5H2,1-2H3/b12-4-