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

Systemtic Name: [2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(2-acetylanilino)-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-(2-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-acetylanilino)-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(2-acetylanilino)-2-keto-ethyl] ester Formula: C21H18ClN3O4 MolecularWeight: 411.83832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC2=CC=CC=C2C(=O)C)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC2=CC=CC=C2C(=O)C)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H18ClN3O4/c1-13-19(20(22)25(24-13)15-8-4-3-5-9-15)21(28)29-12-18(27)23-17-11-7-6-10-16(17)14(2)26/h3-11H,12H2,1-2H3,(H,23,27)