2,3-bis(bromanyl)-3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid

Systemtic Name: 2,3-bis(bromanyl)-3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid Openeye Name: 2,3-dibromo-3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid CAS Name: 2,3-dibromo-3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid IUPAC Name: 2,3-dibromo-3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid Traditional Name: 2,3-dibromo-3-(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)propionic acid Formula: C12H15Br2NO4 MolecularWeight: 397.0598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(C(C(=O)O)Br)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(C(C(=O)O)Br)Br)C

InChI

InChI=1S/C12H15Br2NO4/c1-4-19-12(18)10-5(2)7(6(3)15-10)8(13)9(14)11(16)17/h8-9,15H,4H2,1-3H3,(H,16,17)