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

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

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