[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid [1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid [2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H19N3O4 MolecularWeight: 353.37186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OC(C)C(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OC(C)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C19H19N3O4/c1-12-5-7-14(8-6-12)16-10-17(22-21-16)19(24)26-13(2)18(23)20-11-15-4-3-9-25-15/h3-10,13H,11H2,1-2H3,(H,20,23)(H,21,22)