[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-1,3-dimethyl-pyrazole-4-carboxylate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-1,3-dimethyl-pyrazole-4-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 5-chloro-1,3-dimethyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1,3-dimethyl-4-pyrazolecarboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 5-chloro-1,3-dimethylpyrazole-4-carboxylate Traditional Name: 5-chloro-1,3-dimethyl-pyrazole-4-carboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C12H15ClN4O3 MolecularWeight: 298.7255

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)N(C)CCC#N)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)N(C)CCC#N)Cl)C

InChI

InChI=1S/C12H15ClN4O3/c1-8-10(11(13)17(3)15-8)12(19)20-7-9(18)16(2)6-4-5-14/h4,6-7H2,1-3H3