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

Systemtic Name: [2-[(4-chloranyl-3-methyl-phenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 1H-pyrazole-5-carboxylate Openeye Name: [2-[4-chloro-N-(2-cyanoethyl)-3-methyl-anilino]-2-oxo-ethyl] 1H-pyrazole-5-carboxylate CAS Name: 1H-pyrazole-5-carboxylic acid [2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethyl] 1H-pyrazole-5-carboxylate Traditional Name: 1H-pyrazole-5-carboxylic acid [2-[4-chloro-N-(2-cyanoethyl)-3-methyl-anilino]-2-keto-ethyl] ester Formula: C16H15ClN4O3 MolecularWeight: 346.7683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC=NN2)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC=NN2)Cl

InChI

InChI=1S/C16H15ClN4O3/c1-11-9-12(3-4-13(11)17)21(8-2-6-18)15(22)10-24-16(23)14-5-7-19-20-14/h3-5,7,9H,2,8,10H2,1H3,(H,19,20)