4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)butan-2-one

Systemtic Name: 4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)butan-2-one Openeye Name: 4-(4-hydroxy-3-methoxy-5-nitro-phenyl)butan-2-one CAS Name: 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-butanone IUPAC Name: 4-(4-hydroxy-3-methoxy-5-nitrophenyl)butan-2-one Traditional Name: 4-(4-hydroxy-3-methoxy-5-nitro-phenyl)butan-2-one Formula: C11H13NO5 MolecularWeight: 239.22462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC(=C(C(=C1)OC)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CCC1=CC(=C(C(=C1)OC)O)[N+](=O)[O-]

InChI

InChI=1S/C11H13NO5/c1-7(13)3-4-8-5-9(12(15)16)11(14)10(6-8)17-2/h5-6,14H,3-4H2,1-2H3