[2-[[2,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[[2,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-(2,5-dichloroanilino)-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-(2,5-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dichloroanilino)-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-(2,5-dichloroanilino)-2-keto-ethyl] ester Formula: C18H13Cl2N3O3 MolecularWeight: 390.22012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C18H13Cl2N3O3/c19-12-6-7-13(20)15(8-12)21-17(24)10-26-18(25)16-9-14(22-23-16)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,24)(H,22,23)