[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(2-ethylanilino)-2-oxo-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-(2-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethylanilino)-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(2-ethylanilino)-2-keto-ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)COC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)COC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O3/c1-3-16-9-7-8-12-19(16)23-20(25)14-27-21(26)18-13-22-24(15(18)2)17-10-5-4-6-11-17/h4-13H,3,14H2,1-2H3,(H,23,25)