dimethyl 11-(4-bromophenyl)carbonylpyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylate

Systemtic Name: dimethyl 11-(4-bromophenyl)carbonylpyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylate Openeye Name: dimethyl 11-(4-bromobenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylate CAS Name: 11-[(4-bromophenyl)-oxomethyl]pyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 11-(4-bromobenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylate Traditional Name: 11-(4-bromobenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylic acid dimethyl ester Formula: C26H17BrN2O5 MolecularWeight: 517.32758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=CC3=C(N2C(=C1C(=O)OC)C(=O)C4=CC=C(C=C4)Br)C5=C(C=CC=N5)C=C3

Isomeric SMILES

COC(=O)C1=C2C=CC3=C(N2C(=C1C(=O)OC)C(=O)C4=CC=C(C=C4)Br)C5=C(C=CC=N5)C=C3

InChI

InChI=1S/C26H17BrN2O5/c1-33-25(31)19-18-12-9-15-6-5-14-4-3-13-28-21(14)22(15)29(18)23(20(19)26(32)34-2)24(30)16-7-10-17(27)11-8-16/h3-13H,1-2H3