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

Systemtic Name: 1-[(5S)-3-methyl-5-(4-nitrophenyl)-5-oxidanyl-4H-pyrazol-1-yl]-2-phenyl-ethanone Openeye Name: 1-[(5S)-5-hydroxy-3-methyl-5-(4-nitrophenyl)-4H-pyrazol-1-yl]-2-phenyl-ethanone CAS Name: 1-[(5S)-5-hydroxy-3-methyl-5-(4-nitrophenyl)-4H-pyrazol-1-yl]-2-phenylethanone IUPAC Name: 1-[(5S)-5-hydroxy-3-methyl-5-(4-nitrophenyl)-4H-pyrazol-1-yl]-2-phenylethanone Traditional Name: 1-[(5S)-5-hydroxy-3-methyl-5-(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=NN(C(C1)(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN([C@](C1)(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O4/c1-13-12-18(23,15-7-9-16(10-8-15)21(24)25)20(19-13)17(22)11-14-5-3-2-4-6-14/h2-10,23H,11-12H2,1H3/t18-/m0/s1