2-hexyl-3-oxidanylidene-6-pyridin-4-yl-pyridazine-4-carboxylic acid

Systemtic Name: 2-hexyl-3-oxidanylidene-6-pyridin-4-yl-pyridazine-4-carboxylic acid Openeye Name: 2-hexyl-3-oxo-6-(4-pyridyl)pyridazine-4-carboxylic acid CAS Name: 2-hexyl-3-oxo-6-pyridin-4-yl-4-pyridazinecarboxylic acid IUPAC Name: 2-hexyl-3-oxo-6-pyridin-4-ylpyridazine-4-carboxylic acid Traditional Name: 2-hexyl-3-keto-6-(4-pyridyl)pyridazine-4-carboxylic acid Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CC(=N1)C2=CC=NC=C2)C(=O)O

Isomeric SMILES

CCCCCCN1C(=O)C(=CC(=N1)C2=CC=NC=C2)C(=O)O

InChI

InChI=1S/C16H19N3O3/c1-2-3-4-5-10-19-15(20)13(16(21)22)11-14(18-19)12-6-8-17-9-7-12/h6-9,11H,2-5,10H2,1H3,(H,21,22)