[2-[(4-bromanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-bromanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-2-chloro-anilino)-2-oxo-ethyl] 1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-bromo-2-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-p-phenetyl-pyrrolidine-3-carboxylic acid [2-(4-bromo-2-chloro-anilino)-2-keto-ethyl] ester Formula: C21H20BrClN2O5 MolecularWeight: 495.7509

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C21H20BrClN2O5/c1-2-29-16-6-4-15(5-7-16)25-11-13(9-20(25)27)21(28)30-12-19(26)24-18-8-3-14(22)10-17(18)23/h3-8,10,13H,2,9,11-12H2,1H3,(H,24,26)