1-[5-methyl-3-(4-nitrophenyl)-5-oxidanyl-4H-pyrazol-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[5-methyl-3-(4-nitrophenyl)-5-oxidanyl-4H-pyrazol-1-yl]-2-phenyl-ethanone Openeye Name: 1-[5-hydroxy-5-methyl-3-(4-nitrophenyl)-4H-pyrazol-1-yl]-2-phenyl-ethanone CAS Name: 1-[5-hydroxy-5-methyl-3-(4-nitrophenyl)-4H-pyrazol-1-yl]-2-phenylethanone IUPAC Name: 1-[5-hydroxy-5-methyl-3-(4-nitrophenyl)-4H-pyrazol-1-yl]-2-phenylethanone Traditional Name: 1-[5-hydroxy-5-methyl-3-(4-nitrophenyl)-2-pyrazolin-1-yl]-2-phenyl-ethanone Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NN1C(=O)CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1(CC(=NN1C(=O)CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H17N3O4/c1-18(23)12-16(14-7-9-15(10-8-14)21(24)25)19-20(18)17(22)11-13-5-3-2-4-6-13/h2-10,23H,11-12H2,1H3