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

Systemtic Name: 1-[2-(dipropylamino)-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-(dipropylamino)-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-(dipropylamino)-2-oxoethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-(dipropylamino)-2-oxoethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-(dipropylamino)-2-keto-ethyl]pyrazole-4-carboxylic acid Formula: C12H19N3O3 MolecularWeight: 253.29756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)CN1C=C(C=N1)C(=O)O

Isomeric SMILES

CCCN(CCC)C(=O)CN1C=C(C=N1)C(=O)O

InChI

InChI=1S/C12H19N3O3/c1-3-5-14(6-4-2)11(16)9-15-8-10(7-13-15)12(17)18/h7-8H,3-6,9H2,1-2H3,(H,17,18)