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

Systemtic Name: 4-[(S)-(3-bromanyl-4-methyl-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Openeye Name: 4-[(S)-(3-bromo-4-methyl-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate CAS Name: 4-[(S)-(3-bromo-4-methylphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate IUPAC Name: 4-[(S)-(3-bromo-4-methylphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Traditional Name: 4-[(S)-(3-bromo-4-methyl-phenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C16H16BrN4O2- MolecularWeight: 376.22784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C2=C(NNC2=O)C)C3=C(NN=C3[O-])C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C2=C(NNC2=O)C)C3=C(NN=C3[O-])C)Br

InChI

InChI=1S/C16H17BrN4O2/c1-7-4-5-10(6-11(7)17)14(12-8(2)18-20-15(12)22)13-9(3)19-21-16(13)23/h4-6,14H,1-3H3,(H2,18,20,22)(H2,19,21,23)/p-1