1-[1-(butan-2-ylamino)-1-oxidanylidene-propan-2-yl]-3,5-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-[1-(butan-2-ylamino)-1-oxidanylidene-propan-2-yl]-3,5-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 3,5-dimethyl-1-[1-methyl-2-oxo-2-(sec-butylamino)ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3,5-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3,5-dimethylpyrazole-4-carboxylic acid Traditional Name: 1-[2-keto-1-methyl-2-(sec-butylamino)ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C13H21N3O3 MolecularWeight: 267.32414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C(C)N1C(=C(C(=N1)C)C(=O)O)C

Isomeric SMILES

CCC(C)NC(=O)C(C)N1C(=C(C(=N1)C)C(=O)O)C

InChI

InChI=1S/C13H21N3O3/c1-6-7(2)14-12(17)10(5)16-9(4)11(13(18)19)8(3)15-16/h7,10H,6H2,1-5H3,(H,14,17)(H,18,19)