(3-bromophenyl)-[(5S)-3-methyl-5-(4-nitrophenyl)-5-oxidanyl-4H-pyrazol-1-yl]methanone

Systemtic Name: (3-bromophenyl)-[(5S)-3-methyl-5-(4-nitrophenyl)-5-oxidanyl-4H-pyrazol-1-yl]methanone Openeye Name: (3-bromophenyl)-[(5S)-5-hydroxy-3-methyl-5-(4-nitrophenyl)-4H-pyrazol-1-yl]methanone CAS Name: (3-bromophenyl)-[(5S)-5-hydroxy-3-methyl-5-(4-nitrophenyl)-4H-pyrazol-1-yl]methanone IUPAC Name: (3-bromophenyl)-[(5S)-5-hydroxy-3-methyl-5-(4-nitrophenyl)-4H-pyrazol-1-yl]methanone Traditional Name: (3-bromophenyl)-[(5S)-5-hydroxy-3-methyl-5-(4-nitrophenyl)-2-pyrazolin-1-yl]methanone Formula: C17H14BrN3O4 MolecularWeight: 404.21476

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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)C3=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN3O4/c1-11-10-17(23,13-5-7-15(8-6-13)21(24)25)20(19-11)16(22)12-3-2-4-14(18)9-12/h2-9,23H,10H2,1H3/t17-/m0/s1