2-methyl-1,2-oxaziridin-3-one; 5-[methyl(pyridin-2-yl)amino]-5-oxidanylidene-2-(phenylmethyl)pentanoic acid

Systemtic Name: 2-methyl-1,2-oxaziridin-3-one; 5-[methyl(pyridin-2-yl)amino]-5-oxidanylidene-2-(phenylmethyl)pentanoic acid Openeye Name: 2-benzyl-5-[methyl(2-pyridyl)amino]-5-oxo-pentanoic acid; 2-methyloxaziridin-3-one CAS Name: 2-methyl-3-oxaziridinone; 5-[methyl(2-pyridinyl)amino]-5-oxo-2-(phenylmethyl)pentanoic acid IUPAC Name: 2-benzyl-5-[methyl(pyridin-2-yl)amino]-5-oxopentanoic acid; 2-methyloxaziridin-3-one Traditional Name: 2-benzyl-5-keto-5-[methyl(2-pyridyl)amino]valeric acid; 2-methyloxaziridin-3-one Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)O1.CN(C1=CC=CC=N1)C(=O)CCC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CN1C(=O)O1.CN(C1=CC=CC=N1)C(=O)CCC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H20N2O3.C2H3NO2/c1-20(16-9-5-6-12-19-16)17(21)11-10-15(18(22)23)13-14-7-3-2-4-8-14;1-3-2(4)5-3/h2-9,12,15H,10-11,13H2,1H3,(H,22,23);1H3