4-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-2-one

Systemtic Name: 4-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-2-one Openeye Name: 4-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-2-one CAS Name: 4-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-butanone IUPAC Name: 4-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-2-one Traditional Name: 4-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-2-one Formula: C12H11N3O4 MolecularWeight: 261.23344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=NC(=NO1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CCC1=NC(=NO1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4/c1-8(16)2-7-11-13-12(14-19-11)9-3-5-10(6-4-9)15(17)18/h3-6H,2,7H2,1H3