methyl (4Z)-4-[[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-ethyl-2-methyl-5-oxidanylidene-pyrrole-3-carboxylate

Systemtic Name: methyl (4Z)-4-[[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-ethyl-2-methyl-5-oxidanylidene-pyrrole-3-carboxylate Openeye Name: methyl (4Z)-4-[[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-ethyl-2-methyl-5-oxo-pyrrole-3-carboxylate CAS Name: (4Z)-4-[[1-(3-bromophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-1-ethyl-2-methyl-5-oxo-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4Z)-4-[[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-ethyl-2-methyl-5-oxopyrrole-3-carboxylate Traditional Name: (4Z)-4-[[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-ethyl-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C22H23BrN2O3 MolecularWeight: 443.33362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=CC2=C(N(C(=C2)C)C3=CC(=CC=C3)Br)C)C1=O)C(=O)OC)C

Isomeric SMILES

CCN1C(=C(/C(=C/C2=C(N(C(=C2)C)C3=CC(=CC=C3)Br)C)/C1=O)C(=O)OC)C

InChI

InChI=1S/C22H23BrN2O3/c1-6-24-15(4)20(22(27)28-5)19(21(24)26)11-16-10-13(2)25(14(16)3)18-9-7-8-17(23)12-18/h7-12H,6H2,1-5H3/b19-11-