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

Systemtic Name: ethyl 1-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]pyridin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-oxo-2-(2-oxochromen-3-yl)ethyl]pyridin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]-4-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-oxo-2-(2-oxochromen-3-yl)ethyl]pyridin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(2-ketochromen-3-yl)ethyl]pyridin-1-ium-4-carboxylic acid ethyl ester Formula: C19H16NO5+ MolecularWeight: 338.33404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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