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

Systemtic Name: 1-[3-nitro-4,5-bis(oxidanyl)phenyl]butan-1-one Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)butan-1-one CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-1-butanone IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)butan-1-one Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)butan-1-one Formula: C10H11NO5 MolecularWeight: 225.19804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO5/c1-2-3-8(12)6-4-7(11(15)16)10(14)9(13)5-6/h4-5,13-14H,2-3H2,1H3