4-[(S)-(3-ethoxy-5-iodanyl-4-oxidanyl-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate

Systemtic Name: 4-[(S)-(3-ethoxy-5-iodanyl-4-oxidanyl-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Openeye Name: 4-[(S)-(3-ethoxy-4-hydroxy-5-iodo-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate CAS Name: 4-[(S)-(3-ethoxy-4-hydroxy-5-iodophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate IUPAC Name: 4-[(S)-(3-ethoxy-4-hydroxy-5-iodophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Traditional Name: 4-[(S)-(3-ethoxy-4-hydroxy-5-iodo-phenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C17H18IN4O4- MolecularWeight: 469.25369

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NN=C3[O-])C)I)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@H](C2=C(NNC2=O)C)C3=C(NN=C3[O-])C)I)O

InChI

InChI=1S/C17H19IN4O4/c1-4-26-11-6-9(5-10(18)15(11)23)14(12-7(2)19-21-16(12)24)13-8(3)20-22-17(13)25/h5-6,14,23H,4H2,1-3H3,(H2,19,21,24)(H2,20,22,25)/p-1