1-[(2S)-butan-2-yl]pyrazole-3-carboxylate

Systemtic Name: 1-[(2S)-butan-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[(1S)-1-methylpropyl]pyrazole-3-carboxylate CAS Name: 1-[(2S)-butan-2-yl]-3-pyrazolecarboxylate IUPAC Name: 1-[(2S)-butan-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[(1S)-1-methylpropyl]pyrazole-3-carboxylate Formula: C8H11N2O2- MolecularWeight: 167.18514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=CC(=N1)C(=O)[O-]

Isomeric SMILES

CC[C@H](C)N1C=CC(=N1)C(=O)[O-]

InChI

InChI=1S/C8H12N2O2/c1-3-6(2)10-5-4-7(9-10)8(11)12/h4-6H,3H2,1-2H3,(H,11,12)/p-1/t6-/m0/s1