1-(5-tert-butyl-3-ethyl-5-oxidanyl-4H-pyrazol-1-yl)-2-(4-nitrophenyl)ethanone

Systemtic Name: 1-(5-tert-butyl-3-ethyl-5-oxidanyl-4H-pyrazol-1-yl)-2-(4-nitrophenyl)ethanone Openeye Name: 1-(5-tert-butyl-3-ethyl-5-hydroxy-4H-pyrazol-1-yl)-2-(4-nitrophenyl)ethanone CAS Name: 1-(5-tert-butyl-3-ethyl-5-hydroxy-4H-pyrazol-1-yl)-2-(4-nitrophenyl)ethanone IUPAC Name: 1-(5-tert-butyl-3-ethyl-5-hydroxy-4H-pyrazol-1-yl)-2-(4-nitrophenyl)ethanone Traditional Name: 1-(5-tert-butyl-3-ethyl-5-hydroxy-2-pyrazolin-1-yl)-2-(4-nitrophenyl)ethanone Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(C1)(C(C)(C)C)O)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN(C(C1)(C(C)(C)C)O)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O4/c1-5-13-11-17(22,16(2,3)4)19(18-13)15(21)10-12-6-8-14(9-7-12)20(23)24/h6-9,22H,5,10-11H2,1-4H3