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

Systemtic Name: 5-methyl-4-[(R)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-1H-pyrazol-3-olate Openeye Name: 5-methyl-4-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-1H-pyrazol-3-olate CAS Name: 5-methyl-4-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-1H-pyrazol-3-olate IUPAC Name: 5-methyl-4-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-1H-pyrazol-3-olate Traditional Name: 4-[(R)-(3-keto-5-methyl-3-pyrazolin-4-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C16H14N5O6- MolecularWeight: 372.31226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O6/c1-6-12(15(22)19-17-6)14(13-7(2)18-20-16(13)23)8-3-10-11(27-5-26-10)4-9(8)21(24)25/h3-4,14H,5H2,1-2H3,(H2,17,19,22)(H2,18,20,23)/p-1