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

Systemtic Name: ditert-butyl 9-bromanyl-6-oxidanylidene-7H-indolo[3,2-d][1]benzazepine-5,12-dicarboxylate Openeye Name: ditert-butyl 9-bromo-6-oxo-7H-indolo[3,2-d][1]benzazepine-5,12-dicarboxylate CAS Name: 9-bromo-6-oxo-7H-indolo[3,2-d][1]benzazepine-5,12-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 9-bromo-6-oxo-7H-indolo[3,2-d][1]benzazepine-5,12-dicarboxylate Traditional Name: 9-bromo-6-keto-7H-indolo[3,2-d][1]benzazepine-5,12-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)N1C(=O)CC2=C(C3=CC=CC=C31)N(C4=C2C=C(C=C4)Br)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=O)CC2=C(C3=CC=CC=C31)N(C4=C2C=C(C=C4)Br)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H27BrN2O5/c1-25(2,3)33-23(31)28-19-10-8-7-9-16(19)22-18(14-21(28)30)17-13-15(27)11-12-20(17)29(22)24(32)34-26(4,5)6/h7-13H,14H2,1-6H3