3-butyl-2-(4-iodophenyl)-5-oxidanylidene-pyridazine-4-carboxylic acid

Systemtic Name: 3-butyl-2-(4-iodophenyl)-5-oxidanylidene-pyridazine-4-carboxylic acid Openeye Name: 3-butyl-2-(4-iodophenyl)-5-oxo-pyridazine-4-carboxylic acid CAS Name: 3-butyl-2-(4-iodophenyl)-5-oxo-4-pyridazinecarboxylic acid IUPAC Name: 3-butyl-2-(4-iodophenyl)-5-oxopyridazine-4-carboxylic acid Traditional Name: 3-butyl-2-(4-iodophenyl)-5-keto-pyridazine-4-carboxylic acid Formula: C15H15IN2O3 MolecularWeight: 398.19567

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)C=NN1C2=CC=C(C=C2)I)C(=O)O

Isomeric SMILES

CCCCC1=C(C(=O)C=NN1C2=CC=C(C=C2)I)C(=O)O

InChI

InChI=1S/C15H15IN2O3/c1-2-3-4-12-14(15(20)21)13(19)9-17-18(12)11-7-5-10(16)6-8-11/h5-9H,2-4H2,1H3,(H,20,21)