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

Systemtic Name: ethyl 1-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]pyridin-1-ium-3-carboxylate bromide Openeye Name: ethyl 1-[2-oxo-2-(2-oxochromen-3-yl)ethyl]pyridin-1-ium-3-carboxylate bromide CAS Name: 1-[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]-3-pyridin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-[2-oxo-2-(2-oxochromen-3-yl)ethyl]pyridin-1-ium-3-carboxylate bromide Traditional Name: 1-[2-keto-2-(2-ketochromen-3-yl)ethyl]pyridin-1-ium-3-carboxylic acid ethyl ester bromide Formula: C19H16BrNO5 MolecularWeight: 418.23804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[N+](=CC=C1)CC(=O)C2=CC3=CC=CC=C3OC2=O.[Br-]

Isomeric SMILES

CCOC(=O)C1=C[N+](=CC=C1)CC(=O)C2=CC3=CC=CC=C3OC2=O.[Br-]

InChI

InChI=1S/C19H16NO5.BrH/c1-2-24-18(22)14-7-5-9-20(11-14)12-16(21)15-10-13-6-3-4-8-17(13)25-19(15)23;/h3-11H,2,12H2,1H3;1H/q+1;/p-1