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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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