1-(5-nitro-2-oxidanyl-1-benzofuran-3-yl)pentan-1-one

Systemtic Name: 1-(5-nitro-2-oxidanyl-1-benzofuran-3-yl)pentan-1-one Openeye Name: 1-(2-hydroxy-5-nitro-benzofuran-3-yl)pentan-1-one CAS Name: 1-(2-hydroxy-5-nitro-3-benzofuranyl)-1-pentanone IUPAC Name: 1-(2-hydroxy-5-nitro-1-benzofuran-3-yl)pentan-1-one Traditional Name: 1-(2-hydroxy-5-nitro-benzofuran-3-yl)pentan-1-one Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(OC2=C1C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CCCCC(=O)C1=C(OC2=C1C=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H13NO5/c1-2-3-4-10(15)12-9-7-8(14(17)18)5-6-11(9)19-13(12)16/h5-7,16H,2-4H2,1H3