[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H19ClN4O5 MolecularWeight: 430.84166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CO3)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CO3)C)Cl

InChI

InChI=1S/C20H19ClN4O5/c1-12-18(21)13(2)25(24-12)15-7-5-14(6-8-15)19(27)30-11-17(26)23-20(28)22-10-16-4-3-9-29-16/h3-9H,10-11H2,1-2H3,(H2,22,23,26,28)