[(2S)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [(2S)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [(1S)-2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(2S)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(1S)-2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H15ClN4O3 MolecularWeight: 394.8111

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C20H15ClN4O3/c1-12(19(26)23-15-8-7-14(11-22)16(21)9-15)28-20(27)18-10-17(24-25-18)13-5-3-2-4-6-13/h2-10,12H,1H3,(H,23,26)(H,24,25)/t12-/m0/s1