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

Systemtic Name: 4-[(S)-(3-ethoxy-4-oxidanyl-phenyl)-(3-oxidanylidene-5-phenyl-1,2-dihydropyrazol-4-yl)methyl]-5-phenyl-1H-pyrazol-3-olate Openeye Name: 4-[(S)-(3-ethoxy-4-hydroxy-phenyl)-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methyl]-5-phenyl-1H-pyrazol-3-olate CAS Name: 4-[(S)-(3-ethoxy-4-hydroxyphenyl)-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methyl]-5-phenyl-1H-pyrazol-3-olate IUPAC Name: 4-[(S)-(3-ethoxy-4-hydroxyphenyl)-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methyl]-5-phenyl-1H-pyrazol-3-olate Traditional Name: 4-[(S)-(3-ethoxy-4-hydroxy-phenyl)-(3-keto-5-phenyl-3-pyrazolin-4-yl)methyl]-5-phenyl-1H-pyrazol-3-olate Formula: C27H23N4O4- MolecularWeight: 467.49592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C3=CC=CC=C3)C4=C(NN=C4[O-])C5=CC=CC=C5)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H](C2=C(NNC2=O)C3=CC=CC=C3)C4=C(NN=C4[O-])C5=CC=CC=C5)O

InChI

InChI=1S/C27H24N4O4/c1-2-35-20-15-18(13-14-19(20)32)21(22-24(28-30-26(22)33)16-9-5-3-6-10-16)23-25(29-31-27(23)34)17-11-7-4-8-12-17/h3-15,21,32H,2H2,1H3,(H2,28,30,33)(H2,29,31,34)/p-1