(2S)-1-(4-carboxylato-2-methyl-pyrazol-3-yl)carbonylpiperidine-2-carboxylate

Systemtic Name: (2S)-1-(4-carboxylato-2-methyl-pyrazol-3-yl)carbonylpiperidine-2-carboxylate Openeye Name: (2S)-1-(4-carboxylato-2-methyl-pyrazole-3-carbonyl)piperidine-2-carboxylate CAS Name: (2S)-1-[(4-carboxylato-2-methyl-3-pyrazolyl)-oxomethyl]-2-piperidinecarboxylate IUPAC Name: (2S)-1-(4-carboxylato-2-methylpyrazole-3-carbonyl)piperidine-2-carboxylate Traditional Name: (2S)-1-(4-carboxylato-2-methyl-pyrazole-3-carbonyl)pipecolinate Formula: C12H13N3O5-2 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)[O-])C(=O)N2CCCCC2C(=O)[O-]

Isomeric SMILES

CN1C(=C(C=N1)C(=O)[O-])C(=O)N2CCCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C12H15N3O5/c1-14-9(7(6-13-14)11(17)18)10(16)15-5-3-2-4-8(15)12(19)20/h6,8H,2-5H2,1H3,(H,17,18)(H,19,20)/p-2/t8-/m0/s1