4,4-dimethyl-2-(4-nitrophenoxy)-1-oxidanyl-pentan-3-one

Systemtic Name: 4,4-dimethyl-2-(4-nitrophenoxy)-1-oxidanyl-pentan-3-one Openeye Name: 1-hydroxy-4,4-dimethyl-2-(4-nitrophenoxy)pentan-3-one CAS Name: 1-hydroxy-4,4-dimethyl-2-(4-nitrophenoxy)-3-pentanone IUPAC Name: 1-hydroxy-4,4-dimethyl-2-(4-nitrophenoxy)pentan-3-one Traditional Name: 1-hydroxy-4,4-dimethyl-2-(4-nitrophenoxy)pentan-3-one Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(CO)OC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)C(CO)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO5/c1-13(2,3)12(16)11(8-15)19-10-6-4-9(5-7-10)14(17)18/h4-7,11,15H,8H2,1-3H3