5-nitro-2-[[2-(4-phenylphenyl)-1,3-dihydroisoindol-5-yl]amino]benzoic acid

Systemtic Name: 5-nitro-2-[[2-(4-phenylphenyl)-1,3-dihydroisoindol-5-yl]amino]benzoic acid Openeye Name: 5-nitro-2-[[2-(4-phenylphenyl)isoindolin-5-yl]amino]benzoic acid CAS Name: 5-nitro-2-[[2-(4-phenylphenyl)-1,3-dihydroisoindol-5-yl]amino]benzoic acid IUPAC Name: 5-nitro-2-[[2-(4-phenylphenyl)-1,3-dihydroisoindol-5-yl]amino]benzoic acid Traditional Name: 5-nitro-2-[[2-(4-phenylphenyl)isoindolin-5-yl]amino]benzoic acid Formula: C27H21N3O4 MolecularWeight: 451.47334

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1C3=CC=C(C=C3)C4=CC=CC=C4)C=C(C=C2)NC5=C(C=C(C=C5)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C2=C(CN1C3=CC=C(C=C3)C4=CC=CC=C4)C=C(C=C2)NC5=C(C=C(C=C5)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C27H21N3O4/c31-27(32)25-15-24(30(33)34)12-13-26(25)28-22-9-6-20-16-29(17-21(20)14-22)23-10-7-19(8-11-23)18-4-2-1-3-5-18/h1-15,28H,16-17H2,(H,31,32)