1-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-ethanone

Systemtic Name: 1-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-ethanone Openeye Name: 1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-1,3-dihydropyrazol-2-yl]-2-[(6-methyl-2-nitro-3-pyridyl)oxy]ethanone CAS Name: 1-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone IUPAC Name: 1-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-2-(6-methyl-2-nitropyridin-3-yl)oxyethanone Traditional Name: 1-[(5R)-5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-3-pyrazolin-1-yl]-2-[(6-methyl-2-nitro-3-pyridyl)oxy]ethanone Formula: C23H22N4O6S MolecularWeight: 482.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)OCC(=O)N2C(C=C(N2)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)OCC(=O)N2[C@H](C=C(N2)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O6S/c1-14-6-8-19(23(24-14)27(29)30)33-13-22(28)26-17(12-16(25-26)21-5-4-10-34-21)15-7-9-18(31-2)20(11-15)32-3/h4-12,17,25H,13H2,1-3H3/t17-/m1/s1