2-imidazol-1-yl-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone

Systemtic Name: 2-imidazol-1-yl-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-imidazol-1-yl-ethanone CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(1-imidazolyl)ethanone IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-imidazol-1-ylethanone Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-imidazol-1-yl-ethanone Formula: C11H9N3O5 MolecularWeight: 263.20626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CN(C=N1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O5/c15-9-4-7(3-8(11(9)17)14(18)19)10(16)5-13-2-1-12-6-13/h1-4,6,15,17H,5H2