2,2,3,5-tetramethyl-4-[(4-nitrophenyl)diazenyl]-4H-pyrazol-2-ium-3-ol ethanoate

Systemtic Name: 2,2,3,5-tetramethyl-4-[(4-nitrophenyl)diazenyl]-4H-pyrazol-2-ium-3-ol ethanoate Openeye Name: 2,2,3,5-tetramethyl-4-(4-nitrophenyl)azo-4H-pyrazol-2-ium-3-ol acetate CAS Name: 2,2,3,5-tetramethyl-4-(4-nitrophenyl)azo-4H-pyrazol-2-ium-3-ol acetate IUPAC Name: 2,2,3,5-tetramethyl-4-[(4-nitrophenyl)diazenyl]-4H-pyrazol-2-ium-3-ol acetate Traditional Name: 2,2,3,5-tetramethyl-4-(4-nitrophenyl)azo-2-pyrazolin-2-ium-3-ol acetate Formula: C15H21N5O5 MolecularWeight: 351.35774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](C(C1N=NC2=CC=C(C=C2)[N+](=O)[O-])(C)O)(C)C.CC(=O)[O-]

Isomeric SMILES

CC1=N[N+](C(C1N=NC2=CC=C(C=C2)[N+](=O)[O-])(C)O)(C)C.CC(=O)[O-]

InChI

InChI=1S/C13H18N5O3.C2H4O2/c1-9-12(13(2,19)18(3,4)16-9)15-14-10-5-7-11(8-6-10)17(20)21;1-2(3)4/h5-8,12,19H,1-4H3;1H3,(H,3,4)/q+1;/p-1