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

Systemtic Name: 1-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 3,5-dimethyl-1-[2-oxo-2-(sec-butylamino)ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-(butan-2-ylamino)-2-oxoethyl]-3,5-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-(butan-2-ylamino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxylic acid Traditional Name: 1-[2-keto-2-(sec-butylamino)ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C12H19N3O3 MolecularWeight: 253.29756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CN1C(=C(C(=N1)C)C(=O)O)C

Isomeric SMILES

CCC(C)NC(=O)CN1C(=C(C(=N1)C)C(=O)O)C

InChI

InChI=1S/C12H19N3O3/c1-5-7(2)13-10(16)6-15-9(4)11(12(17)18)8(3)14-15/h7H,5-6H2,1-4H3,(H,13,16)(H,17,18)