4-[(R)-(6-bromanyl-1,3-benzodioxol-5-yl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate

Systemtic Name: 4-[(R)-(6-bromanyl-1,3-benzodioxol-5-yl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Openeye Name: 4-[(R)-(6-bromo-1,3-benzodioxol-5-yl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate CAS Name: 4-[(R)-(6-bromo-1,3-benzodioxol-5-yl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate IUPAC Name: 4-[(R)-(6-bromo-1,3-benzodioxol-5-yl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Traditional Name: 4-[(R)-(6-bromo-1,3-benzodioxol-5-yl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C16H14BrN4O4- MolecularWeight: 406.21076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC3=C(C=C2Br)OCO3)C4=C(NN=C4[O-])C

Isomeric SMILES

CC1=C(C(=O)NN1)[C@H](C2=CC3=C(C=C2Br)OCO3)C4=C(NN=C4[O-])C

InChI

InChI=1S/C16H15BrN4O4/c1-6-12(15(22)20-18-6)14(13-7(2)19-21-16(13)23)8-3-10-11(4-9(8)17)25-5-24-10/h3-4,14H,5H2,1-2H3,(H2,18,20,22)(H2,19,21,23)/p-1