ethyl 5-(2-bromophenyl)-4,4-dicyano-3-(diphenylmethylidene)cyclopentene-1-carboxylate

Systemtic Name: ethyl 5-(2-bromophenyl)-4,4-dicyano-3-(diphenylmethylidene)cyclopentene-1-carboxylate Openeye Name: ethyl 3-benzhydrylidene-5-(2-bromophenyl)-4,4-dicyano-cyclopentene-1-carboxylate CAS Name: 5-(2-bromophenyl)-4,4-dicyano-3-(diphenylmethylene)-1-cyclopentenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzhydrylidene-5-(2-bromophenyl)-4,4-dicyanocyclopentene-1-carboxylate Traditional Name: 3-benzhydrylidene-5-(2-bromophenyl)-4,4-dicyano-cyclopentene-1-carboxylic acid ethyl ester Formula: C29H21BrN2O2 MolecularWeight: 509.39324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C(C1C4=CC=CC=C4Br)(C#N)C#N

Isomeric SMILES

CCOC(=O)C1=CC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C(C1C4=CC=CC=C4Br)(C#N)C#N

InChI

InChI=1S/C29H21BrN2O2/c1-2-34-28(33)23-17-24(26(20-11-5-3-6-12-20)21-13-7-4-8-14-21)29(18-31,19-32)27(23)22-15-9-10-16-25(22)30/h3-17,27H,2H2,1H3