1-(3-nitro-1,2-oxazol-5-yl)propan-1-one

Systemtic Name: 1-(3-nitro-1,2-oxazol-5-yl)propan-1-one Openeye Name: 1-(3-nitroisoxazol-5-yl)propan-1-one CAS Name: 1-(3-nitro-5-isoxazolyl)-1-propanone IUPAC Name: 1-(3-nitro-1,2-oxazol-5-yl)propan-1-one Traditional Name: 1-(3-nitroisoxazol-5-yl)propan-1-one Formula: C6H6N2O4 MolecularWeight: 170.12284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=NO1)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)C1=CC(=NO1)[N+](=O)[O-]

InChI

InChI=1S/C6H6N2O4/c1-2-4(9)5-3-6(7-12-5)8(10)11/h3H,2H2,1H3