1-[(3,4-dimethyl-6-oxidanylidene-1H-pyridazin-5-yl)carbonyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3,4-dimethyl-6-oxidanylidene-1H-pyridazin-5-yl)carbonyl]piperidine-3-carboxylic acid Openeye Name: 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-3-carboxylic acid Traditional Name: 1-(6-keto-3,4-dimethyl-1H-pyridazine-5-carbonyl)nipecotic acid Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN=C1C)C(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=C(C(=O)NN=C1C)C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C13H17N3O4/c1-7-8(2)14-15-11(17)10(7)12(18)16-5-3-4-9(6-16)13(19)20/h9H,3-6H2,1-2H3,(H,15,17)(H,19,20)