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

Systemtic Name: 4,4-dimethyl-1-(2-nitrophenoxy)pentan-3-one Openeye Name: 4,4-dimethyl-1-(2-nitrophenoxy)pentan-3-one CAS Name: 4,4-dimethyl-1-(2-nitrophenoxy)-3-pentanone IUPAC Name: 4,4-dimethyl-1-(2-nitrophenoxy)pentan-3-one Traditional Name: 4,4-dimethyl-1-(2-nitrophenoxy)pentan-3-one Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CCOC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)CCOC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C13H17NO4/c1-13(2,3)12(15)8-9-18-11-7-5-4-6-10(11)14(16)17/h4-7H,8-9H2,1-3H3