3-(1,2-diazepin-1-yl)prop-2-ynyl 2-oxidanylidene-2-phenyl-ethaneperoxoate

Systemtic Name: 3-(1,2-diazepin-1-yl)prop-2-ynyl 2-oxidanylidene-2-phenyl-ethaneperoxoate Openeye Name: 3-(diazepin-1-yl)prop-2-ynyl 2-oxo-2-phenyl-peroxyacetate CAS Name: 2-oxo-2-phenylethaneperoxoic acid 3-(1-diazepinyl)prop-2-ynyl ester IUPAC Name: 3-(diazepin-1-yl)prop-2-ynyl 2-oxo-2-phenylethaneperoxoate Traditional Name: 2-keto-2-phenyl-peracetic acid 3-(diazepin-1-yl)prop-2-ynyl ester Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(=O)OOCC#CN2C=CC=CC=N2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(=O)OOCC#CN2C=CC=CC=N2

InChI

InChI=1S/C16H12N2O4/c19-15(14-8-3-1-4-9-14)16(20)22-21-13-7-12-18-11-6-2-5-10-17-18/h1-6,8-11H,13H2