ethyl 4-bromanyl-1,2,5-triphenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-bromanyl-1,2,5-triphenyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-bromo-1,2,5-triphenyl-pyrrole-3-carboxylate CAS Name: 4-bromo-1,2,5-triphenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-1,2,5-triphenylpyrrole-3-carboxylate Traditional Name: 4-bromo-1,2,5-triphenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C25H20BrNO2 MolecularWeight: 446.3358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1Br)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1Br)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H20BrNO2/c1-2-29-25(28)21-22(26)24(19-14-8-4-9-15-19)27(20-16-10-5-11-17-20)23(21)18-12-6-3-7-13-18/h3-17H,2H2,1H3