ethyl (4Z)-4-[(5-bromanyl-2-oxidanyl-phenyl)methylidene]-2-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrrole-3-carboxylate

Systemtic Name: ethyl (4Z)-4-[(5-bromanyl-2-oxidanyl-phenyl)methylidene]-2-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrrole-3-carboxylate Openeye Name: ethyl (4Z)-4-[(5-bromo-2-hydroxy-phenyl)methylene]-2-methyl-5-oxo-1-(p-tolyl)pyrrole-3-carboxylate CAS Name: (4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2-methyl-1-(4-methylphenyl)-5-oxo-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl (4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2-methyl-1-(4-methylphenyl)-5-oxopyrrole-3-carboxylate Traditional Name: (4Z)-4-(5-bromo-2-hydroxy-benzylidene)-5-keto-2-methyl-1-(p-tolyl)-2-pyrroline-3-carboxylic acid ethyl ester Formula: C22H20BrNO4 MolecularWeight: 442.3025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C\1=C(N(C(=O)/C1=C\C2=C(C=CC(=C2)Br)O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C22H20BrNO4/c1-4-28-22(27)20-14(3)24(17-8-5-13(2)6-9-17)21(26)18(20)12-15-11-16(23)7-10-19(15)25/h5-12,25H,4H2,1-3H3/b18-12-