2-bromanyl-6-methoxy-4-[(E)-[2-(4-nitro-1H-pyrazol-2-ium-2-yl)ethanoylhydrazinylidene]methyl]phenolate

Systemtic Name: 2-bromanyl-6-methoxy-4-[(E)-[2-(4-nitro-1H-pyrazol-2-ium-2-yl)ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 2-bromo-6-methoxy-4-[(E)-[[2-(4-nitro-1H-pyrazol-2-ium-2-yl)acetyl]hydrazono]methyl]phenolate CAS Name: 2-bromo-6-methoxy-4-[(E)-[[2-(4-nitro-1H-pyrazol-2-ium-2-yl)-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2-bromo-6-methoxy-4-[(E)-[[2-(4-nitro-1H-pyrazol-2-ium-2-yl)acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 2-bromo-6-methoxy-4-[(E)-[[2-(4-nitro-1H-pyrazol-2-ium-2-yl)acetyl]hydrazono]methyl]phenolate Formula: C13H12BrN5O5 MolecularWeight: 398.16888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=O)C[N+]2=CC(=CN2)[N+](=O)[O-])Br)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC(=O)C[N+]2=CC(=CN2)[N+](=O)[O-])Br)[O-]

InChI

InChI=1S/C13H12BrN5O5/c1-24-11-3-8(2-10(14)13(11)21)4-15-17-12(20)7-18-6-9(5-16-18)19(22)23/h2-6H,7H2,1H3,(H2,15,17,20,21)