3-phenyl-2-[2,2,2-tris(bromanyl)ethoxycarbonylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[2,2,2-tris(bromanyl)ethoxycarbonylamino]propanoic acid Openeye Name: 3-phenyl-2-(2,2,2-tribromoethoxycarbonylamino)propanoic acid CAS Name: 2-[[oxo(2,2,2-tribromoethoxy)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-(2,2,2-tribromoethoxycarbonylamino)propanoic acid Traditional Name: 3-phenyl-2-(2,2,2-tribromoethoxycarbonylamino)propionic acid Formula: C12H12Br3NO4 MolecularWeight: 473.93998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC(Br)(Br)Br

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC(Br)(Br)Br

InChI

InChI=1S/C12H12Br3NO4/c13-12(14,15)7-20-11(19)16-9(10(17)18)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,16,19)(H,17,18)