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

Systemtic Name: [5-(4-chlorophenyl)-3-methyl-5-oxidanyl-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone Openeye Name: [5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone CAS Name: [5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone IUPAC Name: [5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone Traditional Name: [5-(4-chlorophenyl)-5-hydroxy-3-methyl-2-pyrazolin-1-yl]-(4-nitrophenyl)methanone Formula: C17H14ClN3O4 MolecularWeight: 359.76376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O4/c1-11-10-17(23,13-4-6-14(18)7-5-13)20(19-11)16(22)12-2-8-15(9-3-12)21(24)25/h2-9,23H,10H2,1H3