ethyl (4S)-4-(4-bromophenyl)-2-methyl-5-oxidanylidene-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate

Systemtic Name: ethyl (4S)-4-(4-bromophenyl)-2-methyl-5-oxidanylidene-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate Openeye Name: ethyl (4S)-4-(4-bromophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate CAS Name: (4S)-4-(4-bromophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-bromophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate Traditional Name: (4S)-4-(4-bromophenyl)-5-keto-2-methyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylic acid ethyl ester Formula: C22H18BrNO3 MolecularWeight: 424.28722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(C3=CC=CC=C3C2=O)N=C1C)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1[C@H](C2=C(C3=CC=CC=C3C2=O)N=C1C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrNO3/c1-3-27-22(26)17-12(2)24-20-15-6-4-5-7-16(15)21(25)19(20)18(17)13-8-10-14(23)11-9-13/h4-11,17-18H,3H2,1-2H3/t17?,18-/m1/s1