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

Systemtic Name: 4-[(R)-(3-bromanyl-4,5-dimethoxy-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Openeye Name: 4-[(R)-(3-bromo-4,5-dimethoxy-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate CAS Name: 4-[(R)-(3-bromo-4,5-dimethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate IUPAC Name: 4-[(R)-(3-bromo-4,5-dimethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Traditional Name: 4-[(R)-(3-bromo-4,5-dimethoxy-phenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C17H18BrN4O4- MolecularWeight: 422.25322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN4O4/c1-7-12(16(23)21-19-7)14(13-8(2)20-22-17(13)24)9-5-10(18)15(26-4)11(6-9)25-3/h5-6,14H,1-4H3,(H2,19,21,23)(H2,20,22,24)/p-1