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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C17H12ClNO5 MolecularWeight: 345.73388

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClNO5/c1-10-6-15-13(8-14(10)18)12(7-16(20)24-15)9-23-17(21)11-2-4-19(22)5-3-11/h2-8H,9H2,1H3