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

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] (3S)-1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-furanylmethyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2-furfuryl)-5-keto-pyrrolidine-3-carboxylic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C19H16ClN3O5 MolecularWeight: 401.80044

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CC2=CC=CO2)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

C1[C@@H](CN(C1=O)CC2=CC=CO2)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C19H16ClN3O5/c20-14-4-3-12(8-21)16(7-14)22-17(24)11-28-19(26)13-6-18(25)23(9-13)10-15-2-1-5-27-15/h1-5,7,13H,6,9-11H2,(H,22,24)/t13-/m0/s1