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

Systemtic Name: ethyl 11-(4-bromophenyl)carbonylpyrrolo[1,2-a][1,10]phenanthroline-9-carboxylate Openeye Name: ethyl 11-(4-bromobenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9-carboxylate CAS Name: 11-[(4-bromophenyl)-oxomethyl]-9-pyrrolo[1,2-a][1,10]phenanthrolinecarboxylic acid ethyl ester IUPAC Name: ethyl 11-(4-bromobenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9-carboxylate Traditional Name: 11-(4-bromobenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9-carboxylic acid ethyl ester Formula: C25H17BrN2O3 MolecularWeight: 473.31808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H17BrN2O3/c1-2-31-25(30)19-14-21(24(29)17-7-10-18(26)11-8-17)28-20(19)12-9-16-6-5-15-4-3-13-27-22(15)23(16)28/h3-14H,2H2,1H3