3-[3,5-bis(bromanyl)-4-[(6-oxidanylidene-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]propanoic acid

Systemtic Name: 3-[3,5-bis(bromanyl)-4-[(6-oxidanylidene-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]propanoic acid Openeye Name: 3-[3,5-dibromo-4-[(5-isopropyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]propanoic acid CAS Name: 3-[3,5-dibromo-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]propanoic acid IUPAC Name: 3-[3,5-dibromo-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]propanoic acid Traditional Name: 3-[3,5-dibromo-4-[(5-isopropyl-6-keto-1H-pyridazin-3-yl)oxy]phenyl]propionic acid Formula: C16H16Br2N2O4 MolecularWeight: 460.11724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NNC1=O)OC2=C(C=C(C=C2Br)CCC(=O)O)Br

Isomeric SMILES

CC(C)C1=CC(=NNC1=O)OC2=C(C=C(C=C2Br)CCC(=O)O)Br

InChI

InChI=1S/C16H16Br2N2O4/c1-8(2)10-7-13(19-20-16(10)23)24-15-11(17)5-9(6-12(15)18)3-4-14(21)22/h5-8H,3-4H2,1-2H3,(H,20,23)(H,21,22)