methyl 6-chloranyl-8-(5-fluoranyl-2-oxidanyl-phenyl)carbonyl-11-oxidanylidene-5H-pyrido[2,1-b]quinazolin-10-ium-3-carboxylate

Systemtic Name: methyl 6-chloranyl-8-(5-fluoranyl-2-oxidanyl-phenyl)carbonyl-11-oxidanylidene-5H-pyrido[2,1-b]quinazolin-10-ium-3-carboxylate Openeye Name: methyl 6-chloro-8-(5-fluoro-2-hydroxy-benzoyl)-11-oxo-5H-pyrido[2,1-b]quinazolin-10-ium-3-carboxylate CAS Name: 6-chloro-8-[(5-fluoro-2-hydroxyphenyl)-oxomethyl]-11-oxo-5H-pyrido[2,1-b]quinazolin-10-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 6-chloro-8-(5-fluoro-2-hydroxybenzoyl)-11-oxo-5H-pyrido[2,1-b]quinazolin-10-ium-3-carboxylate Traditional Name: 6-chloro-8-(5-fluoro-2-hydroxy-benzoyl)-11-keto-5H-pyrido[2,1-b]quinazolin-10-ium-3-carboxylic acid methyl ester Formula: C21H13ClFN2O5+ MolecularWeight: 427.789723

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)[N+]3=CC(=CC(=C3N2)Cl)C(=O)C4=C(C=CC(=C4)F)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)[N+]3=CC(=CC(=C3N2)Cl)C(=O)C4=C(C=CC(=C4)F)O

InChI

InChI=1S/C21H12ClFN2O5/c1-30-21(29)10-2-4-13-16(7-10)24-19-15(22)6-11(9-25(19)20(13)28)18(27)14-8-12(23)3-5-17(14)26/h2-9H,1H3,(H,26,27)/p+1