3-[2,3,5-tris(bromanyl)-4-cyano-pyrrol-1-yl]propanoic acid

Systemtic Name: 3-[2,3,5-tris(bromanyl)-4-cyano-pyrrol-1-yl]propanoic acid Openeye Name: 3-(2,3,5-tribromo-4-cyano-pyrrol-1-yl)propanoic acid CAS Name: 3-(2,3,5-tribromo-4-cyano-1-pyrrolyl)propanoic acid IUPAC Name: 3-(2,3,5-tribromo-4-cyanopyrrol-1-yl)propanoic acid Traditional Name: 3-(2,3,5-tribromo-4-cyano-pyrrol-1-yl)propionic acid Formula: C8H5Br3N2O2 MolecularWeight: 400.8495

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Descriptors Computed from Structure

Canonical SMILES:

C(CN1C(=C(C(=C1Br)Br)C#N)Br)C(=O)O

Isomeric SMILES

C(CN1C(=C(C(=C1Br)Br)C#N)Br)C(=O)O

InChI

InChI=1S/C8H5Br3N2O2/c9-6-4(3-12)7(10)13(8(6)11)2-1-5(14)15/h1-2H2,(H,14,15)