1-[(2S)-butan-2-yl]-4-chloranyl-5-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(2S)-butan-2-yl]-4-chloranyl-5-nitro-pyrazole-3-carboxylic acid Openeye Name: 4-chloro-1-[(1S)-1-methylpropyl]-5-nitro-pyrazole-3-carboxylic acid CAS Name: 1-[(2S)-butan-2-yl]-4-chloro-5-nitro-3-pyrazolecarboxylic acid IUPAC Name: 1-[(2S)-butan-2-yl]-4-chloro-5-nitropyrazole-3-carboxylic acid Traditional Name: 4-chloro-1-[(1S)-1-methylpropyl]-5-nitro-pyrazole-3-carboxylic acid Formula: C8H10ClN3O4 MolecularWeight: 247.6357

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10ClN3O4/c1-3-4(2)11-7(12(15)16)5(9)6(10-11)8(13)14/h4H,3H2,1-2H3,(H,13,14)/t4-/m0/s1