2-[(2-nitrophenyl)-oxidanyl-methyl]pent-1-en-3-one

Systemtic Name: 2-[(2-nitrophenyl)-oxidanyl-methyl]pent-1-en-3-one Openeye Name: 2-[hydroxy-(2-nitrophenyl)methyl]pent-1-en-3-one CAS Name: 2-[hydroxy-(2-nitrophenyl)methyl]-1-penten-3-one IUPAC Name: 2-[hydroxy-(2-nitrophenyl)methyl]pent-1-en-3-one Traditional Name: 2-[hydroxy-(2-nitrophenyl)methyl]pent-1-en-3-one Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c1-3-11(14)8(2)12(15)9-6-4-5-7-10(9)13(16)17/h4-7,12,15H,2-3H2,1H3