4-[(R)-(4-methoxyphenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate

Systemtic Name: 4-[(R)-(4-methoxyphenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Openeye Name: 4-[(R)-(4-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate CAS Name: 4-[(R)-(4-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate IUPAC Name: 4-[(R)-(4-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Traditional Name: 4-[(R)-(3-keto-5-methyl-3-pyrazolin-4-yl)-(4-methoxyphenyl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C16H17N4O3- MolecularWeight: 313.33118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)OC)C3=C(NN=C3[O-])C

Isomeric SMILES

CC1=C(C(=O)NN1)[C@H](C2=CC=C(C=C2)OC)C3=C(NN=C3[O-])C

InChI

InChI=1S/C16H18N4O3/c1-8-12(15(21)19-17-8)14(13-9(2)18-20-16(13)22)10-4-6-11(23-3)7-5-10/h4-7,14H,1-3H3,(H2,17,19,21)(H2,18,20,22)/p-1