2-[3-(2-nitroimidazol-1-yl)propyl]isoindole-1,3-dione

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCN3C=CN=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCN3C=CN=C3[N+](=O)[O-]

InChI

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