(E)-[6-bromanyl-5-(phenylcarbonyl)pyrazolo[1,2-a]pyrazol-4-ium-7-ylidene]-phenyl-methanolate

Systemtic Name: (E)-[6-bromanyl-5-(phenylcarbonyl)pyrazolo[1,2-a]pyrazol-4-ium-7-ylidene]-phenyl-methanolate Openeye Name: (E)-(5-benzoyl-6-bromo-pyrazolo[1,2-a]pyrazol-4-ium-7-ylidene)-phenyl-methanolate CAS Name: (E)-(5-benzoyl-6-bromo-7-pyrazolo[1,2-a]pyrazol-4-iumylidene)-phenylmethanolate IUPAC Name: (E)-(5-benzoyl-6-bromopyrazolo[1,2-a]pyrazol-4-ium-7-ylidene)-phenylmethanolate Traditional Name: (E)-(5-benzoyl-6-bromo-pyrazolo[1,2-a]pyrazol-4-ium-7-ylidene)-phenyl-methanolate Formula: C20H13BrN2O2 MolecularWeight: 393.23342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C(=C(C3=CC=CC=C3)[O-])N4[N+]2=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(/C(=C(/C3=CC=CC=C3)\[O-])/N4[N+]2=CC=C4)Br

InChI

InChI=1S/C20H13BrN2O2/c21-16-17(19(24)14-8-3-1-4-9-14)22-12-7-13-23(22)18(16)20(25)15-10-5-2-6-11-15/h1-13H