1-(2,5,6-trimethyl-3-oxidanylidene-pyridazin-4-yl)carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(2,5,6-trimethyl-3-oxidanylidene-pyridazin-4-yl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(2,5,6-trimethyl-3-oxo-pyridazine-4-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[oxo-(2,5,6-trimethyl-3-oxo-4-pyridazinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-(3-keto-2,5,6-trimethyl-pyridazine-4-carbonyl)isonipecotic acid Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)C)C(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)C)C(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C14H19N3O4/c1-8-9(2)15-16(3)12(18)11(8)13(19)17-6-4-10(5-7-17)14(20)21/h10H,4-7H2,1-3H3,(H,20,21)