4-(4-methyl-3-nitro-phenyl)-3-oxidanyl-2-propanoyl-cyclohex-2-en-1-one

Systemtic Name: 4-(4-methyl-3-nitro-phenyl)-3-oxidanyl-2-propanoyl-cyclohex-2-en-1-one Openeye Name: 3-hydroxy-4-(4-methyl-3-nitro-phenyl)-2-propanoyl-cyclohex-2-en-1-one CAS Name: 3-hydroxy-4-(4-methyl-3-nitrophenyl)-2-(1-oxopropyl)-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-4-(4-methyl-3-nitrophenyl)-2-propanoylcyclohex-2-en-1-one Traditional Name: 3-hydroxy-4-(4-methyl-3-nitro-phenyl)-2-propionyl-cyclohex-2-en-1-one Formula: C16H17NO5 MolecularWeight: 303.30988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(CCC1=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])O

Isomeric SMILES

CCC(=O)C1=C(C(CCC1=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])O

InChI

InChI=1S/C16H17NO5/c1-3-13(18)15-14(19)7-6-11(16(15)20)10-5-4-9(2)12(8-10)17(21)22/h4-5,8,11,20H,3,6-7H2,1-2H3