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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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