[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate CAS Name: 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate Traditional Name: 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C17H14ClN3O4 MolecularWeight: 359.76376

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)COC(=O)C2=C(NN=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=COC(=C1)CNC(=O)COC(=O)C2=C(NN=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClN3O4/c18-12-5-3-11(4-6-12)16-14(9-20-21-16)17(23)25-10-15(22)19-8-13-2-1-7-24-13/h1-7,9H,8,10H2,(H,19,22)(H,20,21)