2-(4-aminophenyl)-4-nitro-isoindole-1,3-dione hydrochloride

Systemtic Name: 2-(4-aminophenyl)-4-nitro-isoindole-1,3-dione hydrochloride Openeye Name: 2-(4-aminophenyl)-4-nitro-isoindoline-1,3-dione hydrochloride CAS Name: 2-(4-aminophenyl)-4-nitroisoindole-1,3-dione hydrochloride IUPAC Name: 2-(4-aminophenyl)-4-nitroisoindole-1,3-dione hydrochloride Traditional Name: 2-(4-aminophenyl)-4-nitro-isoindoline-1,3-quinone hydrochloride Formula: C14H10ClN3O4 MolecularWeight: 319.6999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CC=C(C=C3)N.Cl

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CC=C(C=C3)N.Cl

InChI

InChI=1S/C14H9N3O4.ClH/c15-8-4-6-9(7-5-8)16-13(18)10-2-1-3-11(17(20)21)12(10)14(16)19;/h1-7H,15H2;1H