(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C20H13NO5 MolecularWeight: 347.32092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)COC(=O)C4=CC=[N+](C=C4)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)COC(=O)C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C20H13NO5/c22-18-11-15(12-25-20(23)14-7-9-21(24)10-8-14)19-16-4-2-1-3-13(16)5-6-17(19)26-18/h1-11H,12H2