5-tert-butyl-2-(4-nitrophenyl)-4H-pyrazol-3-one

Systemtic Name: 5-tert-butyl-2-(4-nitrophenyl)-4H-pyrazol-3-one Openeye Name: 5-tert-butyl-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: 5-tert-butyl-2-(4-nitrophenyl)-4H-pyrazol-3-one IUPAC Name: 5-tert-butyl-2-(4-nitrophenyl)-4H-pyrazol-3-one Traditional Name: 5-tert-butyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3/c1-13(2,3)11-8-12(17)15(14-11)9-4-6-10(7-5-9)16(18)19/h4-7H,8H2,1-3H3