2-benzamido-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 2-benzamido-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propanoic acid Openeye Name: 2-benzamido-3-(3,5-dibromo-4-hydroxy-phenyl)propanoic acid CAS Name: 2-benzamido-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid IUPAC Name: 2-benzamido-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid Traditional Name: 2-benzamido-3-(3,5-dibromo-4-hydroxy-phenyl)propionic acid Formula: C16H13Br2NO4 MolecularWeight: 443.08672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CC2=CC(=C(C(=C2)Br)O)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CC2=CC(=C(C(=C2)Br)O)Br)C(=O)O

InChI

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