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

Systemtic Name: methyl (3R,4R)-4-(3-bromanyl-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate Openeye Name: methyl (3R,4R)-4-(3-bromo-4-hydroxy-phenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate CAS Name: (3R,4R)-4-(3-bromo-4-hydroxyphenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (3R,4R)-4-(3-bromo-4-hydroxyphenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate Traditional Name: (3R,4R)-4-(3-bromo-4-hydroxy-phenyl)-5-keto-2-methyl-3,4-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=NC2=C(C(C1C(=O)OC)C3=CC(=C(C=C3)O)Br)C(=O)C4=CC=CC=C42

Isomeric SMILES

CC1=NC2=C([C@H]([C@H]1C(=O)OC)C3=CC(=C(C=C3)O)Br)C(=O)C4=CC=CC=C42

InChI

InChI=1S/C21H16BrNO4/c1-10-16(21(26)27-2)17(11-7-8-15(24)14(22)9-11)18-19(23-10)12-5-3-4-6-13(12)20(18)25/h3-9,16-17,24H,1-2H3/t16-,17-/m0/s1