[2-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-ethyl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-ethyl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxo-ethyl] 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 1-butyl-5-chloro-3-methyl-4-pyrazolecarboxylic acid [2-[[(2-fluoroanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-[(2-fluorophenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C18H20ClFN4O4 MolecularWeight: 410.827203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC(=O)NC2=CC=CC=C2F)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC(=O)NC2=CC=CC=C2F)Cl

InChI

InChI=1S/C18H20ClFN4O4/c1-3-4-9-24-16(19)15(11(2)23-24)17(26)28-10-14(25)22-18(27)21-13-8-6-5-7-12(13)20/h5-8H,3-4,9-10H2,1-2H3,(H2,21,22,25,27)