(2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-pyrrol-1-ylbenzoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-pyrrol-1-ylbenzoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C20H15BrN2O3 MolecularWeight: 411.2487

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=CC(=CC=C2)N3C=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=CC(=CC=C2)N3C=CC=C3

InChI

InChI=1S/C20H15BrN2O3/c1-2-25-18-11-14(13-22)10-17(21)19(18)26-20(24)15-6-5-7-16(12-15)23-8-3-4-9-23/h3-12H,2H2,1H3