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

Systemtic Name: tert-butyl 2,3,5-tris(bromanyl)-4-cyano-pyrrole-1-carboxylate Openeye Name: tert-butyl 2,3,5-tribromo-4-cyano-pyrrole-1-carboxylate CAS Name: 2,3,5-tribromo-4-cyano-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2,3,5-tribromo-4-cyanopyrrole-1-carboxylate Traditional Name: 2,3,5-tribromo-4-cyano-pyrrole-1-carboxylic acid tert-butyl ester Formula: C10H9Br3N2O2 MolecularWeight: 428.90266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=C(C(=C1Br)Br)C#N)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=C(C(=C1Br)Br)C#N)Br

InChI

InChI=1S/C10H9Br3N2O2/c1-10(2,3)17-9(16)15-7(12)5(4-14)6(11)8(15)13/h1-3H3