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

Systemtic Name: diethyl 11-(4-bromophenyl)carbonylpyrrolo[1,2-a][1,10]phenanthroline-9,10-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C28H21BrN2O5 MolecularWeight: 545.38074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H21BrN2O5/c1-3-35-27(33)21-20-14-11-17-8-7-16-6-5-15-30-23(16)24(17)31(20)25(22(21)28(34)36-4-2)26(32)18-9-12-19(29)13-10-18/h5-15H,3-4H2,1-2H3