1-(3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl)-2-(4-nitrophenyl)ethanone

Systemtic Name: 1-(3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl)-2-(4-nitrophenyl)ethanone Openeye Name: 1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-(4-nitrophenyl)ethanone CAS Name: 1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-(4-nitrophenyl)ethanone IUPAC Name: 1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-(4-nitrophenyl)ethanone Traditional Name: 1-(5-hydroxy-3,5-dimethyl-2-pyrazolin-1-yl)-2-(4-nitrophenyl)ethanone Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C)O)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(C1)(C)O)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4/c1-9-8-13(2,18)15(14-9)12(17)7-10-3-5-11(6-4-10)16(19)20/h3-6,18H,7-8H2,1-2H3