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

Systemtic Name: 1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-nitrophenoxy)ethanone Openeye Name: 1-[3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(3-nitrophenoxy)ethanone CAS Name: 1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-nitrophenoxy)ethanone IUPAC Name: 1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-nitrophenoxy)ethanone Traditional Name: 1-[5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-(3-nitrophenoxy)ethanone Formula: C23H21N3O6S MolecularWeight: 467.49434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O6S/c1-30-20-9-8-15(11-21(20)31-2)19-13-18(22-7-4-10-33-22)24-25(19)23(27)14-32-17-6-3-5-16(12-17)26(28)29/h3-12,19H,13-14H2,1-2H3