1-[5-chloranyl-1-(2-hydroxyethyl)-6-oxidanylidene-pyridazin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[5-chloranyl-1-(2-hydroxyethyl)-6-oxidanylidene-pyridazin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-chloro-1-(2-hydroxyethyl)-6-oxo-pyridazin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-chloro-1-(2-hydroxyethyl)-6-oxo-4-pyridazinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-chloro-1-(2-hydroxyethyl)-6-keto-pyridazin-4-yl]isonipecotic acid Formula: C12H16ClN3O4 MolecularWeight: 301.72614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=O)N(N=C2)CCO)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=O)N(N=C2)CCO)Cl

InChI

InChI=1S/C12H16ClN3O4/c13-10-9(7-14-16(5-6-17)11(10)18)15-3-1-8(2-4-15)12(19)20/h7-8,17H,1-6H2,(H,19,20)