(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C18H15NO5 MolecularWeight: 325.3154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=[N+](C=C3)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=[N+](C=C3)[O-])C

InChI

InChI=1S/C18H15NO5/c1-11-7-15-14(9-17(20)24-16(15)8-12(11)2)10-23-18(21)13-3-5-19(22)6-4-13/h3-9H,10H2,1-2H3