2-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[(3R)-3-(2-furyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[(3R)-3-(2-furanyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-[(5R)-5-(2-furyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C21H14N4O6S MolecularWeight: 450.42406

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=CC=CO5

Isomeric SMILES

C1[C@@H](N(N=C1C2=CC=CS2)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=CC=CO5

InChI

InChI=1S/C21H14N4O6S/c26-18(11-23-20(27)12-4-1-5-14(25(29)30)19(12)21(23)28)24-15(16-6-2-8-31-16)10-13(22-24)17-7-3-9-32-17/h1-9,15H,10-11H2/t15-/m1/s1