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

Systemtic Name: [5-(4-bromophenyl)-3-methyl-5-oxidanyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone Openeye Name: [5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone CAS Name: [5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone IUPAC Name: [5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone Traditional Name: [5-(4-bromophenyl)-5-hydroxy-3-methyl-2-pyrazolin-1-yl]-(3-nitrophenyl)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)Br)O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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