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2-methyl-1,2-oxaziridin-3-one; 2-(phenylmethyl)butanoic acid

2-methyl-1,2-oxaziridin-3-one; 2-(phenylmethyl)butanoic acid

Systemtic Name:2-methyl-1,2-oxaziridin-3-one; 2-(phenylmethyl)butanoic acid
Openeye Name:2-benzylbutanoic acid; 2-methyloxaziridin-3-one
CAS Name:2-methyl-3-oxaziridinone; 2-(phenylmethyl)butanoic acid
IUPAC Name:2-benzylbutanoic acid; 2-methyloxaziridin-3-one
Traditional Name:2-benzylbutyric acid; 2-methyloxaziridin-3-one
Formula: C13H17NO4
MolecularWeight: 251.27838
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)C(=O)O.CN1C(=O)O1


Isomeric SMILES

CCC(CC1=CC=CC=C1)C(=O)O.CN1C(=O)O1


InChI

InChI=1S/C11H14O2.C2H3NO2/c1-2-10(11(12)13)8-9-6-4-3-5-7-9;1-3-2(4)5-3/h3-7,10H,2,8H2,1H3,(H,12,13);1H3


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