3-[(3E)-3-[(3-bromanyl-4-methoxy-phenyl)methylidene]-2-oxidanylidene-5-phenyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[(3E)-3-[(3-bromanyl-4-methoxy-phenyl)methylidene]-2-oxidanylidene-5-phenyl-pyrrol-1-yl]benzoic acid Openeye Name: 3-[(3E)-3-[(3-bromo-4-methoxy-phenyl)methylene]-2-oxo-5-phenyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[(3E)-3-[(3-bromo-4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-1-pyrrolyl]benzoic acid IUPAC Name: 3-[(3E)-3-[(3-bromo-4-methoxyphenyl)methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid Traditional Name: 3-[(3E)-3-(3-bromo-4-methoxy-benzylidene)-2-keto-5-phenyl-2-pyrrolin-1-yl]benzoic acid Formula: C25H18BrNO4 MolecularWeight: 476.31872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C=C(N(C2=O)C3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/2\C=C(N(C2=O)C3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4)Br

InChI

InChI=1S/C25H18BrNO4/c1-31-23-11-10-16(13-21(23)26)12-19-15-22(17-6-3-2-4-7-17)27(24(19)28)20-9-5-8-18(14-20)25(29)30/h2-15H,1H3,(H,29,30)/b19-12+