(E)-(2-acetyloxy-5-nitro-phenyl)-(2-ethanoylpyrazol-3-yl)imino-oxidanidyl-azanium

Systemtic Name: (E)-(2-acetyloxy-5-nitro-phenyl)-(2-ethanoylpyrazol-3-yl)imino-oxidanidyl-azanium Openeye Name: (E)-(2-acetoxy-5-nitro-phenyl)-(2-acetylpyrazol-3-yl)imino-oxido-ammonium CAS Name: (E)-(2-acetyloxy-5-nitrophenyl)-[(2-acetyl-3-pyrazolyl)imino]-oxidoammonium IUPAC Name: (E)-(2-acetyloxy-5-nitrophenyl)-(2-acetylpyrazol-3-yl)imino-oxidoazanium Traditional Name: (E)-(2-acetoxy-5-nitro-phenyl)-(2-acetylpyrazol-3-yl)imino-oxido-ammonium Formula: C13H11N5O6 MolecularWeight: 333.25634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=CC=N1)N=[N+](C2=C(C=CC(=C2)[N+](=O)[O-])OC(=O)C)[O-]

Isomeric SMILES

CC(=O)N1C(=CC=N1)/N=[N+](\C2=C(C=CC(=C2)[N+](=O)[O-])OC(=O)C)/[O-]

InChI

InChI=1S/C13H11N5O6/c1-8(19)16-13(5-6-14-16)15-17(21)11-7-10(18(22)23)3-4-12(11)24-9(2)20/h3-7H,1-2H3/b17-15+