2-(3-imidazol-1-ylpropyl)-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-(3-imidazol-1-ylpropyl)-5-nitro-isoindole-1,3-dione Openeye Name: 2-(3-imidazol-1-ylpropyl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-[3-(1-imidazolyl)propyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-(3-imidazol-1-ylpropyl)-5-nitroisoindole-1,3-dione Traditional Name: 2-(3-imidazol-1-ylpropyl)-5-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/c19-13-11-3-2-10(18(21)22)8-12(11)14(20)17(13)6-1-5-16-7-4-15-9-16/h2-4,7-9H,1,5-6H2