ethyl 4-[3-[2-(4-bromophenyl)-2-cyano-ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-[2-(4-bromophenyl)-2-cyano-ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-[2-(4-bromophenyl)-2-cyano-vinyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[2-(4-bromophenyl)-2-cyanoethenyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[2-(4-bromophenyl)-2-cyanoethenyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-(4-bromophenyl)-2-cyano-vinyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C24H21BrN2O2 MolecularWeight: 449.33974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C24H21BrN2O2/c1-4-29-24(28)19-7-11-23(12-8-19)27-16(2)13-20(17(27)3)14-21(15-26)18-5-9-22(25)10-6-18/h5-14H,4H2,1-3H3