(1S,2R)-2-[[(5-methyl-1H-pyrazol-3-yl)carbonylamino]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[[(5-methyl-1H-pyrazol-3-yl)carbonylamino]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]hydrazo]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamoyl]cyclohexanecarboxylate Formula: C13H17N4O4- MolecularWeight: 293.29848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)NNC(=O)C2CCCCC2C(=O)[O-]

Isomeric SMILES

CC1=CC(=NN1)C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-]

InChI

InChI=1S/C13H18N4O4/c1-7-6-10(15-14-7)12(19)17-16-11(18)8-4-2-3-5-9(8)13(20)21/h6,8-9H,2-5H2,1H3,(H,14,15)(H,16,18)(H,17,19)(H,20,21)/p-1/t8-,9+/m1/s1