dimethyl 2-[4-(4-bromophenyl)-5-(tert-butylamino)-2-oxidanylidene-3,4-dihydropyrrol-3-yl]propanedioate

Systemtic Name: dimethyl 2-[4-(4-bromophenyl)-5-(tert-butylamino)-2-oxidanylidene-3,4-dihydropyrrol-3-yl]propanedioate Openeye Name: dimethyl 2-[4-(4-bromophenyl)-5-(tert-butylamino)-2-oxo-3,4-dihydropyrrol-3-yl]propanedioate CAS Name: 2-[4-(4-bromophenyl)-5-(tert-butylamino)-2-oxo-3,4-dihydropyrrol-3-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[4-(4-bromophenyl)-5-(tert-butylamino)-2-oxo-3,4-dihydropyrrol-3-yl]propanedioate Traditional Name: 2-[4-(4-bromophenyl)-5-(tert-butylamino)-2-keto-1-pyrrolin-3-yl]malonic acid dimethyl ester Formula: C19H23BrN2O5 MolecularWeight: 439.30032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC(=O)C(C1C2=CC=C(C=C2)Br)C(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)NC1=NC(=O)C(C1C2=CC=C(C=C2)Br)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H23BrN2O5/c1-19(2,3)22-15-12(10-6-8-11(20)9-7-10)13(16(23)21-15)14(17(24)26-4)18(25)27-5/h6-9,12-14H,1-5H3,(H,21,22,23)