[1-[[2,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxylate

Systemtic Name: [1-[[2,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxylate Openeye Name: [2-(2,5-dichloroanilino)-1-methyl-2-oxo-ethyl] 1-benzyl-5-oxo-pyrrolidine-3-carboxylate CAS Name: 5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid [1-(2,5-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1-benzyl-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-benzyl-5-keto-pyrrolidine-3-carboxylic acid [2-(2,5-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20Cl2N2O4 MolecularWeight: 435.3005

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)Cl)OC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)Cl)Cl)OC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H20Cl2N2O4/c1-13(20(27)24-18-10-16(22)7-8-17(18)23)29-21(28)15-9-19(26)25(12-15)11-14-5-3-2-4-6-14/h2-8,10,13,15H,9,11-12H2,1H3,(H,24,27)