methyl 4-(5-bromanyl-2-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate

Systemtic Name: methyl 4-(5-bromanyl-2-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate Openeye Name: methyl 4-(5-bromo-2-hydroxy-phenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate CAS Name: 4-(5-bromo-2-hydroxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(5-bromo-2-hydroxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate Traditional Name: 4-(5-bromo-2-hydroxy-phenyl)-5-keto-2-methyl-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylic acid methyl ester Formula: C21H16BrNO4 MolecularWeight: 426.26004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=C(C=CC(=C4)Br)O)C(=O)OC

Isomeric SMILES

CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=C(C=CC(=C4)Br)O)C(=O)OC

InChI

InChI=1S/C21H16BrNO4/c1-10-16(21(26)27-2)17(14-9-11(22)7-8-15(14)24)18-19(23-10)12-5-3-4-6-13(12)20(18)25/h3-9,17,23-24H,1-2H3