5-azanyl-2-butyl-4-chloranyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-azanyl-2-butyl-4-chloranyl-pyrazole-3-carboxylic acid Openeye Name: 5-amino-2-butyl-4-chloro-pyrazole-3-carboxylic acid CAS Name: 5-amino-2-butyl-4-chloro-3-pyrazolecarboxylic acid IUPAC Name: 5-amino-2-butyl-4-chloropyrazole-3-carboxylic acid Traditional Name: 5-amino-2-butyl-4-chloro-pyrazole-3-carboxylic acid Formula: C8H12ClN3O2 MolecularWeight: 217.65278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)N)Cl)C(=O)O

Isomeric SMILES

CCCCN1C(=C(C(=N1)N)Cl)C(=O)O

InChI

InChI=1S/C8H12ClN3O2/c1-2-3-4-12-6(8(13)14)5(9)7(10)11-12/h2-4H2,1H3,(H2,10,11)(H,13,14)