1-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]adamantane-2-carboxylic acid

Systemtic Name: 1-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]adamantane-2-carboxylic acid Openeye Name: 1-(4,5-dichloro-6-oxo-pyridazin-1-yl)adamantane-2-carboxylic acid CAS Name: 1-(4,5-dichloro-6-oxo-1-pyridazinyl)-2-adamantanecarboxylic acid IUPAC Name: 1-(4,5-dichloro-6-oxopyridazin-1-yl)adamantane-2-carboxylic acid Traditional Name: 1-(4,5-dichloro-6-keto-pyridazin-1-yl)adamantane-2-carboxylic acid Formula: C15H16Cl2N2O3 MolecularWeight: 343.20514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3C(=O)O)N4C(=O)C(=C(C=N4)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3C(=O)O)N4C(=O)C(=C(C=N4)Cl)Cl

InChI

InChI=1S/C15H16Cl2N2O3/c16-10-6-18-19(13(20)12(10)17)15-4-7-1-8(5-15)3-9(2-7)11(15)14(21)22/h6-9,11H,1-5H2,(H,21,22)