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

Systemtic Name: methyl 3-[(3E)-3-[(4-nitrophenyl)methylidene]-2-oxidanylidene-5-phenyl-pyrrol-1-yl]benzoate Openeye Name: methyl 3-[(3E)-3-[(4-nitrophenyl)methylene]-2-oxo-5-phenyl-pyrrol-1-yl]benzoate CAS Name: 3-[(3E)-3-[(4-nitrophenyl)methylidene]-2-oxo-5-phenyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3E)-3-[(4-nitrophenyl)methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoate Traditional Name: 3-[(3E)-2-keto-3-(4-nitrobenzylidene)-5-phenyl-2-pyrrolin-1-yl]benzoic acid methyl ester Formula: C25H18N2O5 MolecularWeight: 426.42082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)N2C(=CC(=CC3=CC=C(C=C3)[N+](=O)[O-])C2=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)N2C(=C/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/C2=O)C4=CC=CC=C4

InChI

InChI=1S/C25H18N2O5/c1-32-25(29)19-8-5-9-22(15-19)26-23(18-6-3-2-4-7-18)16-20(24(26)28)14-17-10-12-21(13-11-17)27(30)31/h2-16H,1H3/b20-14+