4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)butan-1-one

Systemtic Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)butan-1-one Openeye Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-iodo-3,5-dimethyl-pyrazol-1-yl)butan-1-one CAS Name: 4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-(4-iodo-3,5-dimethyl-1-pyrazolyl)-1-butanone IUPAC Name: 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(4-iodo-3,5-dimethylpyrazol-1-yl)butan-1-one Traditional Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-iodo-3,5-dimethyl-pyrazol-1-yl)butan-1-one Formula: C14H18IN5O3 MolecularWeight: 431.22889

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)N2C(=C(C(=N2)C)I)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)N2C(=C(C(=N2)C)I)C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H18IN5O3/c1-8-13(15)10(3)19(17-8)12(21)6-5-7-18-11(4)14(20(22)23)9(2)16-18/h5-7H2,1-4H3