1-[(2R)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[(2R)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[(1R)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[(2R)-1-(2-furanylmethylamino)-1-oxopropan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[(1R)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl]pyrazole-4-carboxylic acid Formula: C12H13N3O4 MolecularWeight: 263.24932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)N2C=C(C=N2)C(=O)O

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CO1)N2C=C(C=N2)C(=O)O

InChI

InChI=1S/C12H13N3O4/c1-8(15-7-9(5-14-15)12(17)18)11(16)13-6-10-3-2-4-19-10/h2-5,7-8H,6H2,1H3,(H,13,16)(H,17,18)/t8-/m1/s1