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

Systemtic Name: 4-[(S)-(4-ethoxy-3-iodanyl-5-methoxy-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Openeye Name: 4-[(S)-(4-ethoxy-3-iodo-5-methoxy-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate CAS Name: 4-[(S)-(4-ethoxy-3-iodo-5-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate IUPAC Name: 4-[(S)-(4-ethoxy-3-iodo-5-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Traditional Name: 4-[(S)-(4-ethoxy-3-iodo-5-methoxy-phenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C18H20IN4O4- MolecularWeight: 483.28027

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1I)C(C2=C(NNC2=O)C)C3=C(NN=C3[O-])C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1I)[C@H](C2=C(NNC2=O)C)C3=C(NN=C3[O-])C)OC

InChI

InChI=1S/C18H21IN4O4/c1-5-27-16-11(19)6-10(7-12(16)26-4)15(13-8(2)20-22-17(13)24)14-9(3)21-23-18(14)25/h6-7,15H,5H2,1-4H3,(H2,20,22,24)(H2,21,23,25)/p-1