(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-oxidanidylpyridin-1-ium-3-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-oxidanidylpyridin-1-ium-3-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 1-oxidopyridin-1-ium-3-carboxylate CAS Name: 1-oxido-3-pyridin-1-iumcarboxylic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 1-oxidopyridin-1-ium-3-carboxylic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C17H13NO5 MolecularWeight: 311.28882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C17H13NO5/c1-11-4-5-14-13(8-16(19)23-15(14)7-11)10-22-17(20)12-3-2-6-18(21)9-12/h2-9H,10H2,1H3