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

Systemtic Name: ethyl (4Z)-4-[(5-bromanyl-2-oxidanyl-phenyl)methylidene]-2-methyl-5-oxidanylidene-1-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl (4Z)-4-[(5-bromo-2-hydroxy-phenyl)methylene]-2-methyl-5-oxo-1-phenyl-pyrrole-3-carboxylate CAS Name: (4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2-methyl-5-oxo-1-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl (4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2-methyl-5-oxo-1-phenylpyrrole-3-carboxylate Traditional Name: (4Z)-4-(5-bromo-2-hydroxy-benzylidene)-5-keto-2-methyl-1-phenyl-2-pyrroline-3-carboxylic acid ethyl ester Formula: C21H18BrNO4 MolecularWeight: 428.27592

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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=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrNO4/c1-3-27-21(26)19-13(2)23(16-7-5-4-6-8-16)20(25)17(19)12-14-11-15(22)9-10-18(14)24/h4-12,24H,3H2,1-2H3/b17-12-