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

Systemtic Name: 1-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-(isopropylamino)-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-oxo-2-(propan-2-ylamino)ethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-(isopropylamino)-2-keto-ethyl]pyrazole-4-carboxylic acid Formula: C9H13N3O3 MolecularWeight: 211.21782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O3/c1-6(2)11-8(13)5-12-4-7(3-10-12)9(14)15/h3-4,6H,5H2,1-2H3,(H,11,13)(H,14,15)