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

Systemtic Name: 4-[(S)-(3,4-diethoxy-5-iodanyl-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Openeye Name: 4-[(S)-(3,4-diethoxy-5-iodo-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate CAS Name: 4-[(S)-(3,4-diethoxy-5-iodophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate IUPAC Name: 4-[(S)-(3,4-diethoxy-5-iodophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Traditional Name: 4-[(S)-(3,4-diethoxy-5-iodo-phenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C19H22IN4O4- MolecularWeight: 497.30685

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C19H23IN4O4/c1-5-27-13-8-11(7-12(20)17(13)28-6-2)16(14-9(3)21-23-18(14)25)15-10(4)22-24-19(15)26/h7-8,16H,5-6H2,1-4H3,(H2,21,23,25)(H2,22,24,26)/p-1