methyl 3-[(3E)-3-[(4-bromophenyl)methylidene]-2-oxidanylidene-5-phenyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 3-[(3E)-3-[(4-bromophenyl)methylidene]-2-oxidanylidene-5-phenyl-pyrrol-1-yl]benzoate Openeye Name: methyl 3-[(3E)-3-[(4-bromophenyl)methylene]-2-oxo-5-phenyl-pyrrol-1-yl]benzoate CAS Name: 3-[(3E)-3-[(4-bromophenyl)methylidene]-2-oxo-5-phenyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3E)-3-[(4-bromophenyl)methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoate Traditional Name: 3-[(3E)-3-(4-bromobenzylidene)-2-keto-5-phenyl-2-pyrrolin-1-yl]benzoic acid methyl ester Formula: C25H18BrNO3 MolecularWeight: 460.31932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)N2C(=CC(=CC3=CC=C(C=C3)Br)C2=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)N2C(=C/C(=C\C3=CC=C(C=C3)Br)/C2=O)C4=CC=CC=C4

InChI

InChI=1S/C25H18BrNO3/c1-30-25(29)19-8-5-9-22(15-19)27-23(18-6-3-2-4-7-18)16-20(24(27)28)14-17-10-12-21(26)13-11-17/h2-16H,1H3/b20-14+