2-[[2-isoquinolin-1-yl-4-(4-nitrophenyl)-5-phenyl-1H-pyrrol-3-yl]oxy]benzoic acid

Systemtic Name: 2-[[2-isoquinolin-1-yl-4-(4-nitrophenyl)-5-phenyl-1H-pyrrol-3-yl]oxy]benzoic acid Openeye Name: 2-[[2-(1-isoquinolyl)-4-(4-nitrophenyl)-5-phenyl-1H-pyrrol-3-yl]oxy]benzoic acid CAS Name: 2-[[2-(1-isoquinolinyl)-4-(4-nitrophenyl)-5-phenyl-1H-pyrrol-3-yl]oxy]benzoic acid IUPAC Name: 2-[[2-isoquinolin-1-yl-4-(4-nitrophenyl)-5-phenyl-1H-pyrrol-3-yl]oxy]benzoic acid Traditional Name: 2-[[2-(1-isoquinolyl)-4-(4-nitrophenyl)-5-phenyl-1H-pyrrol-3-yl]oxy]benzoic acid Formula: C32H21N3O5 MolecularWeight: 527.52624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(N2)C3=NC=CC4=CC=CC=C43)OC5=CC=CC=C5C(=O)O)C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(N2)C3=NC=CC4=CC=CC=C43)OC5=CC=CC=C5C(=O)O)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C32H21N3O5/c36-32(37)25-12-6-7-13-26(25)40-31-27(21-14-16-23(17-15-21)35(38)39)28(22-9-2-1-3-10-22)34-30(31)29-24-11-5-4-8-20(24)18-19-33-29/h1-19,34H,(H,36,37)