1,3-benzoxazol-2-amine; phenyl 2,2-dimethylpentaneperoxoate

Systemtic Name: 1,3-benzoxazol-2-amine; phenyl 2,2-dimethylpentaneperoxoate Openeye Name: 1,3-benzoxazol-2-amine; phenyl 2,2-dimethylpentaneperoxoate CAS Name: 1,3-benzoxazol-2-amine; 2,2-dimethylpentaneperoxoic acid phenyl ester IUPAC Name: 1,3-benzoxazol-2-amine; phenyl 2,2-dimethylpentaneperoxoate Traditional Name: 1,3-benzoxazol-2-ylamine; 2,2-dimethylperoxyvaleric acid phenyl ester Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)C(=O)OOC1=CC=CC=C1.C1=CC=C2C(=C1)N=C(O2)N

Isomeric SMILES

CCCC(C)(C)C(=O)OOC1=CC=CC=C1.C1=CC=C2C(=C1)N=C(O2)N

InChI

InChI=1S/C13H18O3.C7H6N2O/c1-4-10-13(2,3)12(14)16-15-11-8-6-5-7-9-11;8-7-9-5-3-1-2-4-6(5)10-7/h5-9H,4,10H2,1-3H3;1-4H,(H2,8,9)