[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] (3S)-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] (3S)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(4-ethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C22H20ClN3O4 MolecularWeight: 425.8649

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C22H20ClN3O4/c1-2-14-3-7-18(8-4-14)26-12-16(9-21(26)28)22(29)30-13-20(27)25-17-6-5-15(11-24)19(23)10-17/h3-8,10,16H,2,9,12-13H2,1H3,(H,25,27)/t16-/m0/s1