[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C17H18N4O3/c1-12-16(17(23)24-11-15(22)19-10-6-9-18)13(2)21(20-12)14-7-4-3-5-8-14/h3-5,7-8H,6,10-11H2,1-2H3,(H,19,22)