[4-[(E)-3-[methyl(pyridin-3-ylmethyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] ethaneperoxoate

Systemtic Name: [4-[(E)-3-[methyl(pyridin-3-ylmethyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] ethaneperoxoate Openeye Name: [4-[(E)-3-[methyl(3-pyridylmethyl)amino]-3-oxo-prop-1-enyl]phenyl] peroxyacetate CAS Name: ethaneperoxoic acid [4-[(E)-3-[methyl(3-pyridinylmethyl)amino]-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-[methyl(pyridin-3-ylmethyl)amino]-3-oxoprop-1-enyl]phenyl] ethaneperoxoate Traditional Name: peracetic acid [4-[(E)-3-keto-3-[methyl(3-pyridylmethyl)amino]prop-1-enyl]phenyl] ester Formula: C18H18N2O4 MolecularWeight: 326.34652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OOC1=CC=C(C=C1)C=CC(=O)N(C)CC2=CN=CC=C2

Isomeric SMILES

CC(=O)OOC1=CC=C(C=C1)/C=C/C(=O)N(C)CC2=CN=CC=C2

InChI

InChI=1S/C18H18N2O4/c1-14(21)23-24-17-8-5-15(6-9-17)7-10-18(22)20(2)13-16-4-3-11-19-12-16/h3-12H,13H2,1-2H3/b10-7+