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

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(isopropylcarbamoylamino)-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-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H21ClN4O4 MolecularWeight: 392.83674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)NC(=O)NC(C)C)Cl)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC(C)C(=O)NC(=O)NC(C)C)Cl)C2=CC=CC=C2

InChI

InChI=1S/C18H21ClN4O4/c1-10(2)20-18(26)21-16(24)12(4)27-17(25)14-11(3)22-23(15(14)19)13-8-6-5-7-9-13/h5-10,12H,1-4H3,(H2,20,21,24,26)