6-[(5-bromanyl-2-prop-2-enoxy-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylic acid

Systemtic Name: 6-[(5-bromanyl-2-prop-2-enoxy-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylic acid Openeye Name: 6-[(2-allyloxy-5-bromo-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylic acid CAS Name: 6-[(5-bromo-2-prop-2-enoxyphenyl)methyl-ethylamino]-3-pyridazinecarboxylic acid IUPAC Name: 6-[(5-bromo-2-prop-2-enoxyphenyl)methyl-ethylamino]pyridazine-3-carboxylic acid Traditional Name: 6-[(2-allyloxy-5-bromo-benzyl)-ethyl-amino]pyridazine-3-carboxylic acid Formula: C17H18BrN3O3 MolecularWeight: 392.24712

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC=C)C2=NN=C(C=C2)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC=C)C2=NN=C(C=C2)C(=O)O

InChI

InChI=1S/C17H18BrN3O3/c1-3-9-24-15-7-5-13(18)10-12(15)11-21(4-2)16-8-6-14(17(22)23)19-20-16/h3,5-8,10H,1,4,9,11H2,2H3,(H,22,23)