3-[3,5-bis(bromanyl)-4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid

Systemtic Name: 3-[3,5-bis(bromanyl)-4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid Openeye Name: 3-[3,5-dibromo-4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid CAS Name: 3-[3,5-dibromo-4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid IUPAC Name: 3-[3,5-dibromo-4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid Traditional Name: 3-[3,5-dibromo-4-(2-nitrobenzyl)oxy-phenyl]propionic acid Formula: C16H13Br2NO5 MolecularWeight: 459.08612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC2=C(C=C(C=C2Br)CCC(=O)O)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)COC2=C(C=C(C=C2Br)CCC(=O)O)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H13Br2NO5/c17-12-7-10(5-6-15(20)21)8-13(18)16(12)24-9-11-3-1-2-4-14(11)19(22)23/h1-4,7-8H,5-6,9H2,(H,20,21)