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

Systemtic Name: 4-[(3E)-3-[[5-(2-methoxy-4-nitro-phenyl)furan-2-yl]methylidene]-2-oxidanylidene-5-phenyl-pyrrol-1-yl]benzoic acid Openeye Name: 4-[(3E)-3-[[5-(2-methoxy-4-nitro-phenyl)-2-furyl]methylene]-2-oxo-5-phenyl-pyrrol-1-yl]benzoic acid CAS Name: 4-[(3E)-3-[[5-(2-methoxy-4-nitrophenyl)-2-furanyl]methylidene]-2-oxo-5-phenyl-1-pyrrolyl]benzoic acid IUPAC Name: 4-[(3E)-3-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid Traditional Name: 4-[(3E)-2-keto-3-[[5-(2-methoxy-4-nitro-phenyl)-2-furyl]methylene]-5-phenyl-2-pyrrolin-1-yl]benzoic acid Formula: C29H20N2O7 MolecularWeight: 508.4783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=C3C=C(N(C3=O)C4=CC=C(C=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C/3\C=C(N(C3=O)C4=CC=C(C=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C29H20N2O7/c1-37-27-17-22(31(35)36)11-13-24(27)26-14-12-23(38-26)15-20-16-25(18-5-3-2-4-6-18)30(28(20)32)21-9-7-19(8-10-21)29(33)34/h2-17H,1H3,(H,33,34)/b20-15+