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

Systemtic Name: tritert-butyl 9-bromanyl-6-oxidanylidene-7H-indolo[3,2-d][1]benzazepine-5,7,12-tricarboxylate Openeye Name: tritert-butyl 9-bromo-6-oxo-7H-indolo[3,2-d][1]benzazepine-5,7,12-tricarboxylate CAS Name: 9-bromo-6-oxo-7H-indolo[3,2-d][1]benzazepine-5,7,12-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 9-bromo-6-oxo-7H-indolo[3,2-d][1]benzazepine-5,7,12-tricarboxylate Traditional Name: 9-bromo-6-keto-7H-indolo[3,2-d][1]benzazepine-5,7,12-tricarboxylic acid tritert-butyl ester Formula: C31H35BrN2O7 MolecularWeight: 627.5228

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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)N(C4=C2C=C(C=C4)Br)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C31H35BrN2O7/c1-29(2,3)39-26(36)23-22-19-16-17(32)14-15-21(19)33(27(37)40-30(4,5)6)24(22)18-12-10-11-13-20(18)34(25(23)35)28(38)41-31(7,8)9/h10-16,23H,1-9H3