1-(5-chloranyl-1-methyl-6-oxidanylidene-pyridazin-4-yl)piperidine-4-carboxylic acid

Systemtic Name: 1-(5-chloranyl-1-methyl-6-oxidanylidene-pyridazin-4-yl)piperidine-4-carboxylic acid Openeye Name: 1-(5-chloro-1-methyl-6-oxo-pyridazin-4-yl)piperidine-4-carboxylic acid CAS Name: 1-(5-chloro-1-methyl-6-oxo-4-pyridazinyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxylic acid Traditional Name: 1-(5-chloro-6-keto-1-methyl-pyridazin-4-yl)isonipecotic acid Formula: C11H14ClN3O3 MolecularWeight: 271.70016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C=N1)N2CCC(CC2)C(=O)O)Cl

Isomeric SMILES

CN1C(=O)C(=C(C=N1)N2CCC(CC2)C(=O)O)Cl

InChI

InChI=1S/C11H14ClN3O3/c1-14-10(16)9(12)8(6-13-14)15-4-2-7(3-5-15)11(17)18/h6-7H,2-5H2,1H3,(H,17,18)