2-benzamido-3-[2,6-bis(bromanyl)-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 2-benzamido-3-[2,6-bis(bromanyl)-4-oxidanyl-phenyl]propanoic acid Openeye Name: 2-benzamido-3-(2,6-dibromo-4-hydroxy-phenyl)propanoic acid CAS Name: 2-benzamido-3-(2,6-dibromo-4-hydroxyphenyl)propanoic acid IUPAC Name: 2-benzamido-3-(2,6-dibromo-4-hydroxyphenyl)propanoic acid Traditional Name: 2-benzamido-3-(2,6-dibromo-4-hydroxy-phenyl)propionic acid Formula: C16H13Br2NO4 MolecularWeight: 443.08672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CC2=C(C=C(C=C2Br)O)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CC2=C(C=C(C=C2Br)O)Br)C(=O)O

InChI

InChI=1S/C16H13Br2NO4/c17-12-6-10(20)7-13(18)11(12)8-14(16(22)23)19-15(21)9-4-2-1-3-5-9/h1-7,14,20H,8H2,(H,19,21)(H,22,23)