1-[2-nitro-4,5-bis(oxidanyl)phenyl]propan-2-one

Systemtic Name: 1-[2-nitro-4,5-bis(oxidanyl)phenyl]propan-2-one Openeye Name: 1-(4,5-dihydroxy-2-nitro-phenyl)propan-2-one CAS Name: 1-(4,5-dihydroxy-2-nitrophenyl)-2-propanone IUPAC Name: 1-(4,5-dihydroxy-2-nitrophenyl)propan-2-one Traditional Name: 1-(4,5-dihydroxy-2-nitro-phenyl)acetone Formula: C9H9NO5 MolecularWeight: 211.17146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=CC(=C(C=C1[N+](=O)[O-])O)O

Isomeric SMILES

CC(=O)CC1=CC(=C(C=C1[N+](=O)[O-])O)O

InChI

InChI=1S/C9H9NO5/c1-5(11)2-6-3-8(12)9(13)4-7(6)10(14)15/h3-4,12-13H,2H2,1H3