4-[(E)-[2-(4-nitro-1H-pyrazol-2-ium-2-yl)ethanoylhydrazinylidene]methyl]phenolate

Systemtic Name: 4-[(E)-[2-(4-nitro-1H-pyrazol-2-ium-2-yl)ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 4-[(E)-[[2-(4-nitro-1H-pyrazol-2-ium-2-yl)acetyl]hydrazono]methyl]phenolate CAS Name: 4-[(E)-[[2-(4-nitro-1H-pyrazol-2-ium-2-yl)-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 4-[(E)-[[2-(4-nitro-1H-pyrazol-2-ium-2-yl)acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 4-[(E)-[[2-(4-nitro-1H-pyrazol-2-ium-2-yl)acetyl]hydrazono]methyl]phenolate Formula: C12H11N5O4 MolecularWeight: 289.24684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NNC(=O)C[N+]2=CC(=CN2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=N/NC(=O)C[N+]2=CC(=CN2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H11N5O4/c18-11-3-1-9(2-4-11)5-13-15-12(19)8-16-7-10(6-14-16)17(20)21/h1-7H,8H2,(H2,13,15,18,19)