2-methyl-1-[4-(4-nitrophenyl)phenyl]-2-oxidanyl-butan-1-one

Systemtic Name: 2-methyl-1-[4-(4-nitrophenyl)phenyl]-2-oxidanyl-butan-1-one Openeye Name: 2-hydroxy-2-methyl-1-[4-(4-nitrophenyl)phenyl]butan-1-one CAS Name: 2-hydroxy-2-methyl-1-[4-(4-nitrophenyl)phenyl]-1-butanone IUPAC Name: 2-hydroxy-2-methyl-1-[4-(4-nitrophenyl)phenyl]butan-1-one Traditional Name: 2-hydroxy-2-methyl-1-[4-(4-nitrophenyl)phenyl]butan-1-one Formula: C17H17NO4 MolecularWeight: 299.32118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CCC(C)(C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H17NO4/c1-3-17(2,20)16(19)14-6-4-12(5-7-14)13-8-10-15(11-9-13)18(21)22/h4-11,20H,3H2,1-2H3