1-[(3R)-3-(5-methoxy-3-nitro-2-oxidanyl-phenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[(3R)-3-(5-methoxy-3-nitro-2-oxidanyl-phenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[(3R)-3-(2-hydroxy-5-methoxy-3-nitro-phenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[(3R)-3-(2-hydroxy-5-methoxy-3-nitrophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[(3R)-3-(2-hydroxy-5-methoxy-3-nitrophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[(5R)-5-(2-hydroxy-5-methoxy-3-nitro-phenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC(=CC(=C3O)[N+](=O)[O-])OC

Isomeric SMILES

CC(=O)N1[C@H](CC(=N1)C2=CC=CS2)C3=CC(=CC(=C3O)[N+](=O)[O-])OC

InChI

InChI=1S/C16H15N3O5S/c1-9(20)18-13(8-12(17-18)15-4-3-5-25-15)11-6-10(24-2)7-14(16(11)21)19(22)23/h3-7,13,21H,8H2,1-2H3/t13-/m1/s1