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

Systemtic Name: 4-bromanyl-2-[(E)-[2-(4-nitro-1H-pyrazol-2-ium-2-yl)ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 4-bromo-2-[(E)-[[2-(4-nitro-1H-pyrazol-2-ium-2-yl)acetyl]hydrazono]methyl]phenolate CAS Name: 4-bromo-2-[(E)-[[2-(4-nitro-1H-pyrazol-2-ium-2-yl)-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 4-bromo-2-[(E)-[[2-(4-nitro-1H-pyrazol-2-ium-2-yl)acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 4-bromo-2-[(E)-[[2-(4-nitro-1H-pyrazol-2-ium-2-yl)acetyl]hydrazono]methyl]phenolate Formula: C12H10BrN5O4 MolecularWeight: 368.1429

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C=NNC(=O)C[N+]2=CC(=CN2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC(=C(C=C1Br)/C=N/NC(=O)C[N+]2=CC(=CN2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H10BrN5O4/c13-9-1-2-11(19)8(3-9)4-14-16-12(20)7-17-6-10(5-15-17)18(21)22/h1-6H,7H2,(H2,14,16,19,20)