2-(3-bromophenyl)-5-oxidanylidene-3-propyl-pyridazine-4-carboxylic acid

Systemtic Name: 2-(3-bromophenyl)-5-oxidanylidene-3-propyl-pyridazine-4-carboxylic acid Openeye Name: 2-(3-bromophenyl)-5-oxo-3-propyl-pyridazine-4-carboxylic acid CAS Name: 2-(3-bromophenyl)-5-oxo-3-propyl-4-pyridazinecarboxylic acid IUPAC Name: 2-(3-bromophenyl)-5-oxo-3-propylpyridazine-4-carboxylic acid Traditional Name: 2-(3-bromophenyl)-5-keto-3-propyl-pyridazine-4-carboxylic acid Formula: C14H13BrN2O3 MolecularWeight: 337.16862

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)C=NN1C2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

CCCC1=C(C(=O)C=NN1C2=CC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C14H13BrN2O3/c1-2-4-11-13(14(19)20)12(18)8-16-17(11)10-6-3-5-9(15)7-10/h3,5-8H,2,4H2,1H3,(H,19,20)