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

Systemtic Name: 1-[4-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-(4,5-dichloro-6-oxo-pyridazin-1-yl)benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-(4,5-dichloro-6-oxo-1-pyridazinyl)phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(4,5-dichloro-6-keto-pyridazin-1-yl)benzoyl]isonipecotic acid Formula: C17H15Cl2N3O4 MolecularWeight: 396.2247

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=CC=C(C=C2)N3C(=O)C(=C(C=N3)Cl)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=CC=C(C=C2)N3C(=O)C(=C(C=N3)Cl)Cl

InChI

InChI=1S/C17H15Cl2N3O4/c18-13-9-20-22(16(24)14(13)19)12-3-1-10(2-4-12)15(23)21-7-5-11(6-8-21)17(25)26/h1-4,9,11H,5-8H2,(H,25,26)