(3E)-4-(4-bromophenyl)-4-oxidanyl-3-pyridin-1-ium-1-yl-buta-1,3-diene-1,1,2-tricarbonitrile

Systemtic Name: (3E)-4-(4-bromophenyl)-4-oxidanyl-3-pyridin-1-ium-1-yl-buta-1,3-diene-1,1,2-tricarbonitrile Openeye Name: (3E)-4-(4-bromophenyl)-4-hydroxy-3-pyridin-1-ium-1-yl-buta-1,3-diene-1,1,2-tricarbonitrile CAS Name: (3E)-4-(4-bromophenyl)-4-hydroxy-3-(1-pyridin-1-iumyl)buta-1,3-diene-1,1,2-tricarbonitrile IUPAC Name: (3E)-4-(4-bromophenyl)-4-hydroxy-3-pyridin-1-ium-1-ylbuta-1,3-diene-1,1,2-tricarbonitrile Traditional Name: (3E)-4-(4-bromophenyl)-4-hydroxy-3-pyridin-1-ium-1-yl-buta-1,3-diene-1,1,2-tricarbonitrile Formula: C18H10BrN4O+ MolecularWeight: 378.2022

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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/p+1/b18-17+