ditert-butyl 9-bromanyl-6-oxidanylidene-7,12-dihydroindolo[3,2-d][1]benzazepine-5,7-dicarboxylate

Systemtic Name: ditert-butyl 9-bromanyl-6-oxidanylidene-7,12-dihydroindolo[3,2-d][1]benzazepine-5,7-dicarboxylate Openeye Name: ditert-butyl 9-bromo-6-oxo-7,12-dihydroindolo[3,2-d][1]benzazepine-5,7-dicarboxylate CAS Name: 9-bromo-6-oxo-7,12-dihydroindolo[3,2-d][1]benzazepine-5,7-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 9-bromo-6-oxo-7,12-dihydroindolo[3,2-d][1]benzazepine-5,7-dicarboxylate Traditional Name: 9-bromo-6-keto-7,12-dihydroindolo[3,2-d][1]benzazepine-5,7-dicarboxylic acid ditert-butyl ester Formula: C26H27BrN2O5 MolecularWeight: 527.40698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C2=C(C3=CC=CC=C3N(C1=O)C(=O)OC(C)(C)C)NC4=C2C=C(C=C4)Br

Isomeric SMILES

CC(C)(C)OC(=O)C1C2=C(C3=CC=CC=C3N(C1=O)C(=O)OC(C)(C)C)NC4=C2C=C(C=C4)Br

InChI

InChI=1S/C26H27BrN2O5/c1-25(2,3)33-23(31)20-19-16-13-14(27)11-12-17(16)28-21(19)15-9-7-8-10-18(15)29(22(20)30)24(32)34-26(4,5)6/h7-13,20,28H,1-6H3