phenyl 2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butaneperoxoate

Systemtic Name: phenyl 2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butaneperoxoate Openeye Name: phenyl 2-[[(E)-3-(3-pyridyl)prop-2-enoyl]amino]butaneperoxoate CAS Name: 2-[[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]butaneperoxoic acid phenyl ester IUPAC Name: phenyl 2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butaneperoxoate Traditional Name: 2-[[(E)-3-(3-pyridyl)acryloyl]amino]peroxybutyric acid phenyl ester Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OOC1=CC=CC=C1)NC(=O)C=CC2=CN=CC=C2

Isomeric SMILES

CCC(C(=O)OOC1=CC=CC=C1)NC(=O)/C=C/C2=CN=CC=C2

InChI

InChI=1S/C18H18N2O4/c1-2-16(18(22)24-23-15-8-4-3-5-9-15)20-17(21)11-10-14-7-6-12-19-13-14/h3-13,16H,2H2,1H3,(H,20,21)/b11-10+