[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolecarboxylic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-(2-chlorobenzyl)-3,5-dimethyl-pyrazole-4-carboxylic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H21ClN4O5 MolecularWeight: 444.86824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)OCC(=O)NC(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)OCC(=O)NC(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H21ClN4O5/c1-13-19(14(2)26(25-13)11-15-6-3-4-8-17(15)22)20(28)31-12-18(27)24-21(29)23-10-16-7-5-9-30-16/h3-9H,10-12H2,1-2H3,(H2,23,24,27,29)