4-[(R)-(5-iodanylfuran-2-yl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate

Systemtic Name: 4-[(R)-(5-iodanylfuran-2-yl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Openeye Name: 4-[(R)-(5-iodo-2-furyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate CAS Name: 4-[(R)-(5-iodo-2-furanyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate IUPAC Name: 4-[(R)-(5-iodofuran-2-yl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Traditional Name: 4-[(R)-(5-iodo-2-furyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C13H12IN4O3- MolecularWeight: 399.16385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=C(O2)I)C3=C(NN=C3[O-])C

Isomeric SMILES

CC1=C(C(=O)NN1)[C@H](C2=CC=C(O2)I)C3=C(NN=C3[O-])C

InChI

InChI=1S/C13H13IN4O3/c1-5-9(12(19)17-15-5)11(7-3-4-8(14)21-7)10-6(2)16-18-13(10)20/h3-4,11H,1-2H3,(H2,15,17,19)(H2,16,18,20)/p-1