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

Systemtic Name: [2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(4-ethylanilino)-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-(4-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylanilino)-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(4-ethylanilino)-2-keto-ethyl] ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-3-15-9-11-16(12-10-15)23-18(26)13-28-21(27)19-14(2)24-25(20(19)22)17-7-5-4-6-8-17/h4-12H,3,13H2,1-2H3,(H,23,26)