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

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=[N+](C=C3)[O-])C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=[N+](C=C3)[O-])C(C)C

InChI

InChI=1S/C20H19NO5/c1-12(2)16-10-17-15(9-19(22)26-18(17)8-13(16)3)11-25-20(23)14-4-6-21(24)7-5-14/h4-10,12H,11H2,1-3H3