3-(furan-2-yl)-1-(1-methylimidazol-2-yl)-4-nitro-butan-1-one

Systemtic Name: 3-(furan-2-yl)-1-(1-methylimidazol-2-yl)-4-nitro-butan-1-one Openeye Name: 3-(2-furyl)-1-(1-methylimidazol-2-yl)-4-nitro-butan-1-one CAS Name: 3-(2-furanyl)-1-(1-methyl-2-imidazolyl)-4-nitro-1-butanone IUPAC Name: 3-(furan-2-yl)-1-(1-methylimidazol-2-yl)-4-nitrobutan-1-one Traditional Name: 3-(2-furyl)-1-(1-methylimidazol-2-yl)-4-nitro-butan-1-one Formula: C12H13N3O4 MolecularWeight: 263.24932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(=O)CC(C[N+](=O)[O-])C2=CC=CO2

Isomeric SMILES

CN1C=CN=C1C(=O)CC(C[N+](=O)[O-])C2=CC=CO2

InChI

InChI=1S/C12H13N3O4/c1-14-5-4-13-12(14)10(16)7-9(8-15(17)18)11-3-2-6-19-11/h2-6,9H,7-8H2,1H3