(1E)-1-(4-bromophenyl)-3,4,4-tricyano-2-pyridin-1-ium-1-yl-buta-1,3-dien-1-olate

Systemtic Name: (1E)-1-(4-bromophenyl)-3,4,4-tricyano-2-pyridin-1-ium-1-yl-buta-1,3-dien-1-olate Openeye Name: (1E)-1-(4-bromophenyl)-3,4,4-tricyano-2-pyridin-1-ium-1-yl-buta-1,3-dien-1-olate CAS Name: (1E)-1-(4-bromophenyl)-3,4,4-tricyano-2-(1-pyridin-1-iumyl)-1-buta-1,3-dienolate IUPAC Name: (1E)-1-(4-bromophenyl)-3,4,4-tricyano-2-pyridin-1-ium-1-ylbuta-1,3-dien-1-olate Traditional Name: (1E)-1-(4-bromophenyl)-3,4,4-tricyano-2-pyridin-1-ium-1-yl-buta-1,3-dien-1-olate Formula: C18H9BrN4O MolecularWeight: 377.19426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H9BrN4O/c19-15-6-4-13(5-7-15)18(24)17(23-8-2-1-3-9-23)16(12-22)14(10-20)11-21/h1-9H/b18-17+