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

Systemtic Name: 5-methyl-4-[(R)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(5-nitrothiophen-2-yl)methyl]-1H-pyrazol-3-olate Openeye Name: 5-methyl-4-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(5-nitro-2-thienyl)methyl]-1H-pyrazol-3-olate CAS Name: 5-methyl-4-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(5-nitro-2-thiophenyl)methyl]-1H-pyrazol-3-olate IUPAC Name: 5-methyl-4-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(5-nitrothiophen-2-yl)methyl]-1H-pyrazol-3-olate Traditional Name: 4-[(R)-(3-keto-5-methyl-3-pyrazolin-4-yl)-(5-nitro-2-thienyl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C13H12N5O4S- MolecularWeight: 334.33048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=C(S2)[N+](=O)[O-])C3=C(NN=C3[O-])C

Isomeric SMILES

CC1=C(C(=O)NN1)[C@H](C2=CC=C(S2)[N+](=O)[O-])C3=C(NN=C3[O-])C

InChI

InChI=1S/C13H13N5O4S/c1-5-9(12(19)16-14-5)11(10-6(2)15-17-13(10)20)7-3-4-8(23-7)18(21)22/h3-4,11H,1-2H3,(H2,14,16,19)(H2,15,17,20)/p-1