[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C19H12Cl2N4O3 MolecularWeight: 415.22958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)C#N)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)C#N)Cl)Cl

InChI

InChI=1S/C19H12Cl2N4O3/c20-13-4-1-11(2-5-13)16-8-17(25-24-16)19(27)28-10-18(26)23-14-6-3-12(9-22)15(21)7-14/h1-8H,10H2,(H,23,26)(H,24,25)