1-[(2R)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[(2R)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid Openeye Name: 1-[(1R)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[(2R)-1-(2-furanylmethylamino)-1-oxopropan-2-yl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid Traditional Name: 1-[(1R)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl]pyrazole-3-carboxylic acid Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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