1-(5-nitro-2-oxidanyl-phenyl)butan-1-one

Systemtic Name: 1-(5-nitro-2-oxidanyl-phenyl)butan-1-one Openeye Name: 1-(2-hydroxy-5-nitro-phenyl)butan-1-one CAS Name: 1-(2-hydroxy-5-nitrophenyl)-1-butanone IUPAC Name: 1-(2-hydroxy-5-nitrophenyl)butan-1-one Traditional Name: 1-(2-hydroxy-5-nitro-phenyl)butan-1-one Formula: C10H11NO4 MolecularWeight: 209.19864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO4/c1-2-3-9(12)8-6-7(11(14)15)4-5-10(8)13/h4-6,13H,2-3H2,1H3