(2-nitrophenyl)-(1,1,3,5-tetramethylpyrazol-1-ium-4-yl)diazene ethanoate

Systemtic Name: (2-nitrophenyl)-(1,1,3,5-tetramethylpyrazol-1-ium-4-yl)diazene ethanoate Openeye Name: (2-nitrophenyl)-(1,1,3,5-tetramethylpyrazol-1-ium-4-yl)diazene acetate CAS Name: (2-nitrophenyl)-(1,1,3,5-tetramethyl-4-pyrazol-1-iumyl)diazene acetate IUPAC Name: (2-nitrophenyl)-(1,1,3,5-tetramethylpyrazol-1-ium-4-yl)diazene acetate Traditional Name: (2-nitrophenyl)-(1,1,3,5-tetramethylpyrazol-1-ium-4-yl)diazene acetate Formula: C15H19N5O4 MolecularWeight: 333.34246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=N[N+]1(C)C)C)N=NC2=CC=CC=C2[N+](=O)[O-].CC(=O)[O-]

Isomeric SMILES

CC1=C(C(=N[N+]1(C)C)C)N=NC2=CC=CC=C2[N+](=O)[O-].CC(=O)[O-]

InChI

InChI=1S/C13H16N5O2.C2H4O2/c1-9-13(10(2)18(3,4)16-9)15-14-11-7-5-6-8-12(11)17(19)20;1-2(3)4/h5-8H,1-4H3;1H3,(H,3,4)/q+1;/p-1