4-[[5-bromanyl-2-(2-chloranylprop-2-enoxy)phenyl]methyl-ethyl-amino]pyridazine-3-carboxylic acid

Systemtic Name: 4-[[5-bromanyl-2-(2-chloranylprop-2-enoxy)phenyl]methyl-ethyl-amino]pyridazine-3-carboxylic acid Openeye Name: 4-[[5-bromo-2-(2-chloroallyloxy)phenyl]methyl-ethyl-amino]pyridazine-3-carboxylic acid CAS Name: 4-[[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methyl-ethylamino]-3-pyridazinecarboxylic acid IUPAC Name: 4-[[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methyl-ethylamino]pyridazine-3-carboxylic acid Traditional Name: 4-[[5-bromo-2-(2-chloroallyloxy)benzyl]-ethyl-amino]pyridazine-3-carboxylic acid Formula: C17H17BrClN3O3 MolecularWeight: 426.69218

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC(=C)Cl)C2=C(N=NC=C2)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC(=C)Cl)C2=C(N=NC=C2)C(=O)O

InChI

InChI=1S/C17H17BrClN3O3/c1-3-22(14-6-7-20-21-16(14)17(23)24)9-12-8-13(18)4-5-15(12)25-10-11(2)19/h4-8H,2-3,9-10H2,1H3,(H,23,24)