phenyl 2-(pyridin-3-ylmethylcarbamoyl)but-3-eneperoxoate

Systemtic Name: phenyl 2-(pyridin-3-ylmethylcarbamoyl)but-3-eneperoxoate Openeye Name: phenyl 2-(3-pyridylmethylcarbamoyl)but-3-eneperoxoate CAS Name: 2-[oxo-(3-pyridinylmethylamino)methyl]-3-buteneperoxoic acid phenyl ester IUPAC Name: phenyl 2-(pyridin-3-ylmethylcarbamoyl)but-3-eneperoxoate Traditional Name: 2-(3-pyridylmethylcarbamoyl)but-3-eneperoxoic acid phenyl ester Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C(=O)NCC1=CN=CC=C1)C(=O)OOC2=CC=CC=C2

Isomeric SMILES

C=CC(C(=O)NCC1=CN=CC=C1)C(=O)OOC2=CC=CC=C2

InChI

InChI=1S/C17H16N2O4/c1-2-15(16(20)19-12-13-7-6-10-18-11-13)17(21)23-22-14-8-4-3-5-9-14/h2-11,15H,1,12H2,(H,19,20)