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

Systemtic Name: (E,4S)-1-(4-nitrophenyl)-4-oxidanyl-pent-1-en-3-one Openeye Name: (E,4S)-4-hydroxy-1-(4-nitrophenyl)pent-1-en-3-one CAS Name: (E,4S)-4-hydroxy-1-(4-nitrophenyl)-1-penten-3-one IUPAC Name: (E,4S)-4-hydroxy-1-(4-nitrophenyl)pent-1-en-3-one Traditional Name: (E,4S)-4-hydroxy-1-(4-nitrophenyl)pent-1-en-3-one Formula: C11H11NO4 MolecularWeight: 221.20934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO4/c1-8(13)11(14)7-4-9-2-5-10(6-3-9)12(15)16/h2-8,13H,1H3/b7-4+/t8-/m0/s1