(1Z)-1-(6-bromanyl-5-ethanoyl-pyrazolo[1,2-a]pyrazol-4-ium-7-ylidene)ethanolate

Systemtic Name: (1Z)-1-(6-bromanyl-5-ethanoyl-pyrazolo[1,2-a]pyrazol-4-ium-7-ylidene)ethanolate Openeye Name: (1Z)-1-(5-acetyl-6-bromo-pyrazolo[1,2-a]pyrazol-4-ium-7-ylidene)ethanolate CAS Name: (1Z)-1-(5-acetyl-6-bromo-7-pyrazolo[1,2-a]pyrazol-4-iumylidene)ethanolate IUPAC Name: (1Z)-1-(5-acetyl-6-bromopyrazolo[1,2-a]pyrazol-4-ium-7-ylidene)ethanolate Traditional Name: (1Z)-1-(5-acetyl-6-bromo-pyrazolo[1,2-a]pyrazol-4-ium-7-ylidene)ethanolate Formula: C10H9BrN2O2 MolecularWeight: 269.09466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(C)[O-])N2[N+]1=CC=C2)Br

Isomeric SMILES

CC(=O)C1=C(/C(=C(\C)/[O-])/N2[N+]1=CC=C2)Br

InChI

InChI=1S/C10H9BrN2O2/c1-6(14)9-8(11)10(7(2)15)13-5-3-4-12(9)13/h3-5H,1-2H3