3-[(2-nitrophenyl)-oxidanyl-methyl]pent-4-en-2-one

Systemtic Name: 3-[(2-nitrophenyl)-oxidanyl-methyl]pent-4-en-2-one Openeye Name: 3-[hydroxy-(2-nitrophenyl)methyl]pent-4-en-2-one CAS Name: 3-[hydroxy-(2-nitrophenyl)methyl]-4-penten-2-one IUPAC Name: 3-[hydroxy-(2-nitrophenyl)methyl]pent-4-en-2-one Traditional Name: 3-[hydroxy-(2-nitrophenyl)methyl]pent-4-en-2-one Formula: C12H13NO4 MolecularWeight: 235.23592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c1-3-9(8(2)14)12(15)10-6-4-5-7-11(10)13(16)17/h3-7,9,12,15H,1H2,2H3