(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-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-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-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=CC=[N+]4[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)COC(=O)C4=CC=CC=[N+]4[O-]

InChI

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