(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C18H15NO5 MolecularWeight: 325.3154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=[N+](C=C3)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=[N+](C=C3)[O-])C

InChI

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