1-chloranyl-3-(4,5-dinitroimidazol-1-yl)propan-2-one

Systemtic Name: 1-chloranyl-3-(4,5-dinitroimidazol-1-yl)propan-2-one Openeye Name: 1-chloro-3-(4,5-dinitroimidazol-1-yl)propan-2-one CAS Name: 1-chloro-3-(4,5-dinitro-1-imidazolyl)-2-propanone IUPAC Name: 1-chloro-3-(4,5-dinitroimidazol-1-yl)propan-2-one Traditional Name: 1-chloro-3-(4,5-dinitroimidazol-1-yl)acetone Formula: C6H5ClN4O5 MolecularWeight: 248.5807

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=C(N1CC(=O)CCl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=NC(=C(N1CC(=O)CCl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H5ClN4O5/c7-1-4(12)2-9-3-8-5(10(13)14)6(9)11(15)16/h3H,1-2H2