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

Systemtic Name: 3-[(3E)-3-[(3-bromanyl-4-methoxy-phenyl)methylidene]-2-oxidanylidene-5-phenyl-pyrrol-1-yl]-4-chloranyl-benzoic acid Openeye Name: 3-[(3E)-3-[(3-bromo-4-methoxy-phenyl)methylene]-2-oxo-5-phenyl-pyrrol-1-yl]-4-chloro-benzoic acid CAS Name: 3-[(3E)-3-[(3-bromo-4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-1-pyrrolyl]-4-chlorobenzoic acid IUPAC Name: 3-[(3E)-3-[(3-bromo-4-methoxyphenyl)methylidene]-2-oxo-5-phenylpyrrol-1-yl]-4-chlorobenzoic acid Traditional Name: 3-[(3E)-3-(3-bromo-4-methoxy-benzylidene)-2-keto-5-phenyl-2-pyrrolin-1-yl]-4-chloro-benzoic acid Formula: C25H17BrClNO4 MolecularWeight: 510.76378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H17BrClNO4/c1-32-23-10-7-15(12-19(23)26)11-18-14-21(16-5-3-2-4-6-16)28(24(18)29)22-13-17(25(30)31)8-9-20(22)27/h2-14H,1H3,(H,30,31)/b18-11+