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

Systemtic Name: 3-[(3E)-3-[(4-nitrophenyl)methylidene]-2-oxidanylidene-5-phenyl-pyrrol-1-yl]benzoic acid Openeye Name: 3-[(3E)-3-[(4-nitrophenyl)methylene]-2-oxo-5-phenyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[(3E)-3-[(4-nitrophenyl)methylidene]-2-oxo-5-phenyl-1-pyrrolyl]benzoic acid IUPAC Name: 3-[(3E)-3-[(4-nitrophenyl)methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid Traditional Name: 3-[(3E)-2-keto-3-(4-nitrobenzylidene)-5-phenyl-2-pyrrolin-1-yl]benzoic acid Formula: C24H16N2O5 MolecularWeight: 412.39424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)N2C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C24H16N2O5/c27-23-19(13-16-9-11-20(12-10-16)26(30)31)15-22(17-5-2-1-3-6-17)25(23)21-8-4-7-18(14-21)24(28)29/h1-15H,(H,28,29)/b19-13+