4-[(S)-(3-ethoxy-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-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-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate CAS Name: 4-[(S)-(3-ethoxy-4-hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate IUPAC Name: 4-[(S)-(3-ethoxy-4-hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Traditional Name: 4-[(S)-(3-ethoxy-4-hydroxy-phenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C17H19N4O4- MolecularWeight: 343.35716

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4/c1-4-25-12-7-10(5-6-11(12)22)15(13-8(2)18-20-16(13)23)14-9(3)19-21-17(14)24/h5-7,15,22H,4H2,1-3H3,(H2,18,20,23)(H2,19,21,24)/p-1