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

Systemtic Name: 5-nitro-2-[(2-phenyl-1,3-dihydroisoindol-5-yl)amino]benzoic acid Openeye Name: 5-nitro-2-[(2-phenylisoindolin-5-yl)amino]benzoic acid CAS Name: 5-nitro-2-[(2-phenyl-1,3-dihydroisoindol-5-yl)amino]benzoic acid IUPAC Name: 5-nitro-2-[(2-phenyl-1,3-dihydroisoindol-5-yl)amino]benzoic acid Traditional Name: 5-nitro-2-[(2-phenylisoindolin-5-yl)amino]benzoic acid Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1C3=CC=CC=C3)C=C(C=C2)NC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C2=C(CN1C3=CC=CC=C3)C=C(C=C2)NC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H17N3O4/c25-21(26)19-11-18(24(27)28)8-9-20(19)22-16-7-6-14-12-23(13-15(14)10-16)17-4-2-1-3-5-17/h1-11,22H,12-13H2,(H,25,26)