3-tert-butyl-1-(4-nitrophenyl)pyrazol-1-ium-4-one

Systemtic Name: 3-tert-butyl-1-(4-nitrophenyl)pyrazol-1-ium-4-one Openeye Name: 3-tert-butyl-1-(4-nitrophenyl)pyrazol-1-ium-4-one CAS Name: 3-tert-butyl-1-(4-nitrophenyl)-4-pyrazol-1-iumone IUPAC Name: 3-tert-butyl-1-(4-nitrophenyl)pyrazol-1-ium-4-one Traditional Name: 3-tert-butyl-1-(4-nitrophenyl)pyrazol-1-ium-4-one Formula: C13H14N3O3+ MolecularWeight: 260.26856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N3O3/c1-13(2,3)12-11(17)8-15(14-12)9-4-6-10(7-5-9)16(18)19/h4-8H,1-3H3/q+1