1-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(2-nitropyridin-3-yl)oxy-ethanone

Systemtic Name: 1-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(2-nitropyridin-3-yl)oxy-ethanone Openeye Name: 1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-[(2-nitro-3-pyridyl)oxy]ethanone CAS Name: 1-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[(2-nitro-3-pyridinyl)oxy]ethanone IUPAC Name: 1-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(2-nitropyridin-3-yl)oxyethanone Traditional Name: 1-[(5R)-5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-[(2-nitro-3-pyridyl)oxy]ethanone Formula: C22H20N4O6S MolecularWeight: 468.4824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=NN2C(=O)COC3=C(N=CC=C3)[N+](=O)[O-])C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2CC(=NN2C(=O)COC3=C(N=CC=C3)[N+](=O)[O-])C4=CC=CS4)OC

InChI

InChI=1S/C22H20N4O6S/c1-30-17-8-7-14(11-19(17)31-2)16-12-15(20-6-4-10-33-20)24-25(16)21(27)13-32-18-5-3-9-23-22(18)26(28)29/h3-11,16H,12-13H2,1-2H3/t16-/m1/s1