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

Systemtic Name: 1-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-(isobutylamino)-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-(2-methylpropylamino)-2-oxoethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-(2-methylpropylamino)-2-oxoethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-(isobutylamino)-2-keto-ethyl]pyrazole-4-carboxylic acid Formula: C10H15N3O3 MolecularWeight: 225.2444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CN1C=C(C=N1)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)CN1C=C(C=N1)C(=O)O

InChI

InChI=1S/C10H15N3O3/c1-7(2)3-11-9(14)6-13-5-8(4-12-13)10(15)16/h4-5,7H,3,6H2,1-2H3,(H,11,14)(H,15,16)