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

Systemtic Name: 5-methyl-4-[(R)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(2-prop-2-enoxyphenyl)methyl]-1H-pyrazol-3-olate Openeye Name: 4-[(R)-(2-allyloxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate CAS Name: 5-methyl-4-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(2-prop-2-enoxyphenyl)methyl]-1H-pyrazol-3-olate IUPAC Name: 5-methyl-4-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(2-prop-2-enoxyphenyl)methyl]-1H-pyrazol-3-olate Traditional Name: 4-[(R)-(2-allyloxyphenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C18H19N4O3- MolecularWeight: 339.36846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=CC=C2OCC=C)C3=C(NN=C3[O-])C

Isomeric SMILES

CC1=C(C(=O)NN1)[C@H](C2=CC=CC=C2OCC=C)C3=C(NN=C3[O-])C

InChI

InChI=1S/C18H20N4O3/c1-4-9-25-13-8-6-5-7-12(13)16(14-10(2)19-21-17(14)23)15-11(3)20-22-18(15)24/h4-8,16H,1,9H2,2-3H3,(H2,19,21,23)(H2,20,22,24)/p-1