2-(3-imidazol-1-ylpropyl)-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-(3-imidazol-1-ylpropyl)-4-nitro-isoindole-1,3-dione Openeye Name: 2-(3-imidazol-1-ylpropyl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-[3-(1-imidazolyl)propyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-(3-imidazol-1-ylpropyl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(3-imidazol-1-ylpropyl)-4-nitro-isoindoline-1,3-quinone Formula: C14H12N4O4 MolecularWeight: 300.26948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCCN3C=CN=C3

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCCN3C=CN=C3

InChI

InChI=1S/C14H12N4O4/c19-13-10-3-1-4-11(18(21)22)12(10)14(20)17(13)7-2-6-16-8-5-15-9-16/h1,3-5,8-9H,2,6-7H2