1-[3-(2-methylpropylamino)-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[3-(2-methylpropylamino)-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-(isobutylamino)-3-oxo-propyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-(2-methylpropylamino)-3-oxopropyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-(2-methylpropylamino)-3-oxopropyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-(isobutylamino)-3-keto-propyl]pyrazole-4-carboxylic acid Formula: C11H17N3O3 MolecularWeight: 239.27098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CCN1C=C(C=N1)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)CCN1C=C(C=N1)C(=O)O

InChI

InChI=1S/C11H17N3O3/c1-8(2)5-12-10(15)3-4-14-7-9(6-13-14)11(16)17/h6-8H,3-5H2,1-2H3,(H,12,15)(H,16,17)