1-[3-nitro-4,5-bis(oxidanyl)phenyl]pentan-1-one

Systemtic Name: 1-[3-nitro-4,5-bis(oxidanyl)phenyl]pentan-1-one Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)pentan-1-one CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-1-pentanone IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)pentan-1-one Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)pentan-1-one Formula: C11H13NO5 MolecularWeight: 239.22462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO5/c1-2-3-4-9(13)7-5-8(12(16)17)11(15)10(14)6-7/h5-6,14-15H,2-4H2,1H3