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

Systemtic Name: 4-[(R)-(4-iodophenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Openeye Name: 4-[(R)-(4-iodophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate CAS Name: 4-[(R)-(4-iodophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate IUPAC Name: 4-[(R)-(4-iodophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Traditional Name: 4-[(R)-(4-iodophenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C15H14IN4O2- MolecularWeight: 409.20173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15IN4O2/c1-7-11(14(21)19-17-7)13(9-3-5-10(16)6-4-9)12-8(2)18-20-15(12)22/h3-6,13H,1-2H3,(H2,17,19,21)(H2,18,20,22)/p-1