(4-cyanophenyl) 2,3,5-tris(bromanyl)-4-cyano-pyrrole-1-carboxylate

Systemtic Name: (4-cyanophenyl) 2,3,5-tris(bromanyl)-4-cyano-pyrrole-1-carboxylate Openeye Name: (4-cyanophenyl) 2,3,5-tribromo-4-cyano-pyrrole-1-carboxylate CAS Name: 2,3,5-tribromo-4-cyano-1-pyrrolecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2,3,5-tribromo-4-cyanopyrrole-1-carboxylate Traditional Name: 2,3,5-tribromo-4-cyano-pyrrole-1-carboxylic acid (4-cyanophenyl) ester Formula: C13H4Br3N3O2 MolecularWeight: 473.90176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OC(=O)N2C(=C(C(=C2Br)Br)C#N)Br

Isomeric SMILES

C1=CC(=CC=C1C#N)OC(=O)N2C(=C(C(=C2Br)Br)C#N)Br

InChI

InChI=1S/C13H4Br3N3O2/c14-10-9(6-18)11(15)19(12(10)16)13(20)21-8-3-1-7(5-17)2-4-8/h1-4H