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

Systemtic Name: 1-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)-4-(4-nitropyrazol-1-yl)butan-1-one Openeye Name: 1-(4-iodo-3,5-dimethyl-pyrazol-1-yl)-4-(4-nitropyrazol-1-yl)butan-1-one CAS Name: 1-(4-iodo-3,5-dimethyl-1-pyrazolyl)-4-(4-nitro-1-pyrazolyl)-1-butanone IUPAC Name: 1-(4-iodo-3,5-dimethylpyrazol-1-yl)-4-(4-nitropyrazol-1-yl)butan-1-one Traditional Name: 1-(4-iodo-3,5-dimethyl-pyrazol-1-yl)-4-(4-nitropyrazol-1-yl)butan-1-one Formula: C12H14IN5O3 MolecularWeight: 403.17573

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)CCCN2C=C(C=N2)[N+](=O)[O-])C)I

Isomeric SMILES

CC1=C(C(=NN1C(=O)CCCN2C=C(C=N2)[N+](=O)[O-])C)I

InChI

InChI=1S/C12H14IN5O3/c1-8-12(13)9(2)17(15-8)11(19)4-3-5-16-7-10(6-14-16)18(20)21/h6-7H,3-5H2,1-2H3