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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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