[(5R)-3-methyl-5-(2-methylpropyl)-5-oxidanyl-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O4/c1-10(2)8-15(20)9-11(3)16-17(15)14(19)12-4-6-13(7-5-12)18(21)22/h4-7,10,20H,8-9H2,1-3H3/t15-/m1/s1