ethyl 5-[2-(2-chloroethylcarbamoyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]pentanoate

Systemtic Name: ethyl 5-[2-(2-chloroethylcarbamoyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]pentanoate Openeye Name: ethyl 5-[2-(2-chloroethylcarbamoyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]pentanoate CAS Name: 5-[2-[(2-chloroethylamino)-oxomethyl]-5-methyl-3-oxo-1H-pyrazol-4-yl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[2-(2-chloroethylcarbamoyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]pentanoate Traditional Name: 5-[1-(2-chloroethylcarbamoyl)-5-keto-3-methyl-3-pyrazolin-4-yl]valeric acid ethyl ester Formula: C14H22ClN3O4 MolecularWeight: 331.79518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC1=C(NN(C1=O)C(=O)NCCCl)C

Isomeric SMILES

CCOC(=O)CCCCC1=C(NN(C1=O)C(=O)NCCCl)C

InChI

InChI=1S/C14H22ClN3O4/c1-3-22-12(19)7-5-4-6-11-10(2)17-18(13(11)20)14(21)16-9-8-15/h17H,3-9H2,1-2H3,(H,16,21)