2-[3-(butan-2-ylamino)-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-(butan-2-ylamino)-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-oxo-3-(sec-butylamino)propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-(butan-2-ylamino)-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-(butan-2-ylamino)-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-(sec-butylamino)propyl]pyrazole-3-carboxylic acid Formula: C11H17N3O3 MolecularWeight: 239.27098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CCN1C(=CC=N1)C(=O)O

Isomeric SMILES

CCC(C)NC(=O)CCN1C(=CC=N1)C(=O)O

InChI

InChI=1S/C11H17N3O3/c1-3-8(2)13-10(15)5-7-14-9(11(16)17)4-6-12-14/h4,6,8H,3,5,7H2,1-2H3,(H,13,15)(H,16,17)