[2-[[2,3-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-[[2,3-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(2,3-dichloroanilino)-2-oxo-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid [2-(2,3-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dichloroanilino)-2-oxoethyl] 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [2-(2,3-dichloroanilino)-2-keto-ethyl] ester Formula: C21H17Cl2N3O3 MolecularWeight: 430.28398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)NC3=C(C(=CC=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)NC3=C(C(=CC=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H17Cl2N3O3/c22-15-7-4-8-16(20(15)23)24-19(27)12-29-21(28)18-11-17(13-9-10-13)25-26(18)14-5-2-1-3-6-14/h1-8,11,13H,9-10,12H2,(H,24,27)