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

Systemtic Name: 4-[(5-bromanyl-2-oxidanyl-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylic acid Openeye Name: 4-[(5-bromo-2-hydroxy-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylic acid CAS Name: 4-[(5-bromo-2-hydroxyphenyl)methyl-ethylamino]-3-pyridazinecarboxylic acid IUPAC Name: 4-[(5-bromo-2-hydroxyphenyl)methyl-ethylamino]pyridazine-3-carboxylic acid Traditional Name: 4-[(5-bromo-2-hydroxy-benzyl)-ethyl-amino]pyridazine-3-carboxylic acid Formula: C14H14BrN3O3 MolecularWeight: 352.18326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrN3O3/c1-2-18(8-9-7-10(15)3-4-12(9)19)11-5-6-16-17-13(11)14(20)21/h3-7,19H,2,8H2,1H3,(H,20,21)