[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H18ClN3O4 MolecularWeight: 387.81692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)NCC2=CC=CO2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC(C)C(=O)NCC2=CC=CO2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C19H18ClN3O4/c1-12-16(17(20)23(22-12)14-7-4-3-5-8-14)19(25)27-13(2)18(24)21-11-15-9-6-10-26-15/h3-10,13H,11H2,1-2H3,(H,21,24)