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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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