methyl (3R,4R)-4-(3-bromanyl-4-oxidanyl-phenyl)-2-methylidene-5-oxidanylidene-4,4a-dihydro-3H-indeno[1,2-b]pyridine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C2C(=NC1=C)C3=CC=CC=C3C2=O)C4=CC(=C(C=C4)O)Br

Isomeric SMILES

COC(=O)[C@@H]1[C@@H](C2C(=NC1=C)C3=CC=CC=C3C2=O)C4=CC(=C(C=C4)O)Br

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/h3-9,16-18,24H,1H2,2H3/t16-,17-,18?/m0/s1