dimethyl 5-[[1-(4-bromophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[1-(4-bromophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-(4-bromophenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-(4-bromophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-(4-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-(4-bromophenyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H19BrN2O6 MolecularWeight: 475.28936

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C21H19BrN2O6/c1-29-20(27)12-7-13(21(28)30-2)9-16(8-12)23-19(26)14-10-18(25)24(11-14)17-5-3-15(22)4-6-17/h3-9,14H,10-11H2,1-2H3,(H,23,26)