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

Systemtic Name: 1-[3-(5-nitro-2-oxidanyl-phenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[3-(2-hydroxy-5-nitro-phenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[3-(2-hydroxy-5-nitrophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[3-(2-hydroxy-5-nitrophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[5-(2-hydroxy-5-nitro-phenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O4S/c1-9(19)17-13(8-12(16-17)15-3-2-6-23-15)11-7-10(18(21)22)4-5-14(11)20/h2-7,13,20H,8H2,1H3