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

Systemtic Name: methyl 6-chloranyl-8-(5-methoxy-2-oxidanyl-phenyl)carbonyl-11-oxidanylidene-5H-pyrido[2,1-b]quinazolin-10-ium-3-carboxylate Openeye Name: methyl 6-chloro-8-(2-hydroxy-5-methoxy-benzoyl)-11-oxo-5H-pyrido[2,1-b]quinazolin-10-ium-3-carboxylate CAS Name: 6-chloro-8-[(2-hydroxy-5-methoxyphenyl)-oxomethyl]-11-oxo-5H-pyrido[2,1-b]quinazolin-10-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 6-chloro-8-(2-hydroxy-5-methoxybenzoyl)-11-oxo-5H-pyrido[2,1-b]quinazolin-10-ium-3-carboxylate Traditional Name: 6-chloro-8-(2-hydroxy-5-methoxy-benzoyl)-11-keto-5H-pyrido[2,1-b]quinazolin-10-ium-3-carboxylic acid methyl ester Formula: C22H16ClN2O6+ MolecularWeight: 439.82524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C(=O)C2=CC(=C3NC4=C(C=CC(=C4)C(=O)OC)C(=O)[N+]3=C2)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)O)C(=O)C2=CC(=C3NC4=C(C=CC(=C4)C(=O)OC)C(=O)[N+]3=C2)Cl

InChI

InChI=1S/C22H15ClN2O6/c1-30-13-4-6-18(26)15(9-13)19(27)12-7-16(23)20-24-17-8-11(22(29)31-2)3-5-14(17)21(28)25(20)10-12/h3-10H,1-2H3,(H,26,27)/p+1