1-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]pyridin-1-ium-4-carbonitrile bromide

Systemtic Name: 1-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]pyridin-1-ium-4-carbonitrile bromide Openeye Name: 1-[2-oxo-2-(2-oxochromen-3-yl)ethyl]pyridin-1-ium-4-carbonitrile bromide CAS Name: 1-[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]-4-pyridin-1-iumcarbonitrile bromide IUPAC Name: 1-[2-oxo-2-(2-oxochromen-3-yl)ethyl]pyridin-1-ium-4-carbonitrile bromide Traditional Name: 1-[2-keto-2-(2-ketochromen-3-yl)ethyl]pyridin-1-ium-4-carbonitrile bromide Formula: C17H11BrN2O3 MolecularWeight: 371.18484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)C[N+]3=CC=C(C=C3)C#N.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)C[N+]3=CC=C(C=C3)C#N.[Br-]

InChI

InChI=1S/C17H11N2O3.BrH/c18-10-12-5-7-19(8-6-12)11-15(20)14-9-13-3-1-2-4-16(13)22-17(14)21;/h1-9H,11H2;1H/q+1;/p-1