2-(cyanomethyl)-3-propyl-benzoate; 2-octadecyl-1,2-oxaziridin-3-one

Systemtic Name: 2-(cyanomethyl)-3-propyl-benzoate; 2-octadecyl-1,2-oxaziridin-3-one Openeye Name: 2-(cyanomethyl)-3-propyl-benzoate; 2-octadecyloxaziridin-3-one CAS Name: 2-(cyanomethyl)-3-propylbenzoate; 2-octadecyl-3-oxaziridinone IUPAC Name: 2-(cyanomethyl)-3-propylbenzoate; 2-octadecyloxaziridin-3-one Traditional Name: 2-(cyanomethyl)-3-propyl-benzoate; 2-stearyloxaziridin-3-one Formula: C31H49N2O4- MolecularWeight: 513.73176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=O)O1.CCCC1=CC=CC(=C1CC#N)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=O)O1.CCCC1=CC=CC(=C1CC#N)C(=O)[O-]

InChI

InChI=1S/C19H37NO2.C12H13NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19(21)22-20;1-2-4-9-5-3-6-11(12(14)15)10(9)7-8-13/h2-18H2,1H3;3,5-6H,2,4,7H2,1H3,(H,14,15)/p-1