(5-tert-butyl-3-methyl-5-oxidanyl-4H-pyrazol-1-yl)-(3-nitrophenyl)methanone

Systemtic Name: (5-tert-butyl-3-methyl-5-oxidanyl-4H-pyrazol-1-yl)-(3-nitrophenyl)methanone Openeye Name: (5-tert-butyl-5-hydroxy-3-methyl-4H-pyrazol-1-yl)-(3-nitrophenyl)methanone CAS Name: (5-tert-butyl-5-hydroxy-3-methyl-4H-pyrazol-1-yl)-(3-nitrophenyl)methanone IUPAC Name: (5-tert-butyl-5-hydroxy-3-methyl-4H-pyrazol-1-yl)-(3-nitrophenyl)methanone Traditional Name: (5-tert-butyl-5-hydroxy-3-methyl-2-pyrazolin-1-yl)-(3-nitrophenyl)methanone Formula: C15H19N3O4 MolecularWeight: 305.32906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O4/c1-10-9-15(20,14(2,3)4)17(16-10)13(19)11-6-5-7-12(8-11)18(21)22/h5-8,20H,9H2,1-4H3