5-azanyl-2-[(2S)-butan-2-yl]-4-chloranyl-pyrazole-3-carboxylate

Systemtic Name: 5-azanyl-2-[(2S)-butan-2-yl]-4-chloranyl-pyrazole-3-carboxylate Openeye Name: 5-amino-4-chloro-2-[(1S)-1-methylpropyl]pyrazole-3-carboxylate CAS Name: 5-amino-2-[(2S)-butan-2-yl]-4-chloro-3-pyrazolecarboxylate IUPAC Name: 5-amino-2-[(2S)-butan-2-yl]-4-chloropyrazole-3-carboxylate Traditional Name: 5-amino-4-chloro-2-[(1S)-1-methylpropyl]pyrazole-3-carboxylate Formula: C8H11ClN3O2- MolecularWeight: 216.64484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=C(C(=N1)N)Cl)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C8H12ClN3O2/c1-3-4(2)12-6(8(13)14)5(9)7(10)11-12/h4H,3H2,1-2H3,(H2,10,11)(H,13,14)/p-1/t4-/m0/s1