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

Systemtic Name: ethyl (5Z)-5-[[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-methyl-4-oxidanylidene-1H-pyrrole-3-carboxylate Openeye Name: ethyl (5Z)-5-[[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylate CAS Name: (5Z)-5-[[1-(3-bromophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (5Z)-5-[[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylate Traditional Name: (5Z)-5-[[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-4-keto-2-methyl-2-pyrroline-3-carboxylic acid ethyl ester Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=CC2=C(N(C(=C2)C)C3=CC(=CC=C3)Br)C)C1=O)C

Isomeric SMILES

CCOC(=O)C1=C(N/C(=C\C2=C(N(C(=C2)C)C3=CC(=CC=C3)Br)C)/C1=O)C

InChI

InChI=1S/C21H21BrN2O3/c1-5-27-21(26)19-13(3)23-18(20(19)25)10-15-9-12(2)24(14(15)4)17-8-6-7-16(22)11-17/h6-11,23H,5H2,1-4H3/b18-10-