(E,5S)-1-methoxy-5-(4-nitrophenyl)-5-oxidanyl-pent-1-en-3-one

Systemtic Name: (E,5S)-1-methoxy-5-(4-nitrophenyl)-5-oxidanyl-pent-1-en-3-one Openeye Name: (E,5S)-5-hydroxy-1-methoxy-5-(4-nitrophenyl)pent-1-en-3-one CAS Name: (E,5S)-5-hydroxy-1-methoxy-5-(4-nitrophenyl)-1-penten-3-one IUPAC Name: (E,5S)-5-hydroxy-1-methoxy-5-(4-nitrophenyl)pent-1-en-3-one Traditional Name: (E,5S)-5-hydroxy-1-methoxy-5-(4-nitrophenyl)pent-1-en-3-one Formula: C12H13NO5 MolecularWeight: 251.23532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CO/C=C/C(=O)C[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C12H13NO5/c1-18-7-6-11(14)8-12(15)9-2-4-10(5-3-9)13(16)17/h2-7,12,15H,8H2,1H3/b7-6+/t12-/m0/s1