6-chloranyl-8-(5-methoxy-2-oxidanyl-phenyl)carbonyl-11-oxidanylidene-pyrido[2,1-b]quinazoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-8-(5-methoxy-2-oxidanyl-phenyl)carbonyl-11-oxidanylidene-pyrido[2,1-b]quinazoline-3-carboxylic acid Openeye Name: 6-chloro-8-(2-hydroxy-5-methoxy-benzoyl)-11-oxo-pyrido[2,1-b]quinazoline-3-carboxylic acid CAS Name: 6-chloro-8-[(2-hydroxy-5-methoxyphenyl)-oxomethyl]-11-oxo-3-pyrido[2,1-b]quinazolinecarboxylic acid IUPAC Name: 6-chloro-8-(2-hydroxy-5-methoxybenzoyl)-11-oxopyrido[2,1-b]quinazoline-3-carboxylic acid Traditional Name: 6-chloro-8-(2-hydroxy-5-methoxy-benzoyl)-11-keto-pyrido[2,1-b]quinazoline-3-carboxylic acid Formula: C21H13ClN2O6 MolecularWeight: 424.79072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C(=O)C2=CN3C(=NC4=C(C3=O)C=CC(=C4)C(=O)O)C(=C2)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)O)C(=O)C2=CN3C(=NC4=C(C3=O)C=CC(=C4)C(=O)O)C(=C2)Cl

InChI

InChI=1S/C21H13ClN2O6/c1-30-12-3-5-17(25)14(8-12)18(26)11-6-15(22)19-23-16-7-10(21(28)29)2-4-13(16)20(27)24(19)9-11/h2-9,25H,1H3,(H,28,29)