1-[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid Openeye Name: 1-[(1S)-2-(butylamino)-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[(2S)-1-(butylamino)-1-oxopropan-2-yl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[(2S)-1-(butylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid Traditional Name: 1-[(1S)-2-(butylamino)-2-keto-1-methyl-ethyl]pyrazole-3-carboxylic acid Formula: C11H17N3O3 MolecularWeight: 239.27098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)N1C=CC(=N1)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C11H17N3O3/c1-3-4-6-12-10(15)8(2)14-7-5-9(13-14)11(16)17/h5,7-8H,3-4,6H2,1-2H3,(H,12,15)(H,16,17)/t8-/m0/s1