6-[4-(4-iodanylphenoxy)carbonyl-5-methyl-pyrazol-1-yl]pyridazin-3-olate

Systemtic Name: 6-[4-(4-iodanylphenoxy)carbonyl-5-methyl-pyrazol-1-yl]pyridazin-3-olate Openeye Name: 6-[4-(4-iodophenoxy)carbonyl-5-methyl-pyrazol-1-yl]pyridazin-3-olate CAS Name: 6-[4-[(4-iodophenoxy)-oxomethyl]-5-methyl-1-pyrazolyl]-3-pyridazinolate IUPAC Name: 6-[4-(4-iodophenoxy)carbonyl-5-methylpyrazol-1-yl]pyridazin-3-olate Traditional Name: 6-[4-(4-iodophenoxy)carbonyl-5-methyl-pyrazol-1-yl]pyridazin-3-olate Formula: C15H10IN4O3- MolecularWeight: 421.16937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NN=C(C=C2)[O-])C(=O)OC3=CC=C(C=C3)I

Isomeric SMILES

CC1=C(C=NN1C2=NN=C(C=C2)[O-])C(=O)OC3=CC=C(C=C3)I

InChI

InChI=1S/C15H11IN4O3/c1-9-12(15(22)23-11-4-2-10(16)3-5-11)8-17-20(9)13-6-7-14(21)19-18-13/h2-8H,1H3,(H,19,21)/p-1