1-[2-[6,8-bis(bromanyl)-2-oxidanylidene-chromen-3-yl]-2-oxidanylidene-ethyl]pyridin-1-ium-4-carbonitrile

Systemtic Name: 1-[2-[6,8-bis(bromanyl)-2-oxidanylidene-chromen-3-yl]-2-oxidanylidene-ethyl]pyridin-1-ium-4-carbonitrile Openeye Name: 1-[2-(6,8-dibromo-2-oxo-chromen-3-yl)-2-oxo-ethyl]pyridin-1-ium-4-carbonitrile CAS Name: 1-[2-(6,8-dibromo-2-oxo-1-benzopyran-3-yl)-2-oxoethyl]-4-pyridin-1-iumcarbonitrile IUPAC Name: 1-[2-(6,8-dibromo-2-oxochromen-3-yl)-2-oxoethyl]pyridin-1-ium-4-carbonitrile Traditional Name: 1-[2-(6,8-dibromo-2-keto-chromen-3-yl)-2-keto-ethyl]pyridin-1-ium-4-carbonitrile Formula: C17H9Br2N2O3+ MolecularWeight: 449.07296

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1C#N)CC(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br

Isomeric SMILES

C1=C[N+](=CC=C1C#N)CC(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br

InChI

InChI=1S/C17H9Br2N2O3/c18-12-5-11-6-13(17(23)24-16(11)14(19)7-12)15(22)9-21-3-1-10(8-20)2-4-21/h1-7H,9H2/q+1