(2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C22H19BrN2O3 MolecularWeight: 439.30186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=CC=C(C=C2)N3C(=CC=C3C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=CC=C(C=C2)N3C(=CC=C3C)C

InChI

InChI=1S/C22H19BrN2O3/c1-4-27-20-12-16(13-24)11-19(23)21(20)28-22(26)17-7-9-18(10-8-17)25-14(2)5-6-15(25)3/h5-12H,4H2,1-3H3