4-[3-(2-nitroimidazol-1-yl)propyl]isoindole-1,3-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CCCN3C=CN=C3[N+](=O)[O-])C(=O)NC2=O

Isomeric SMILES

C1=CC2=C(C(=C1)CCCN3C=CN=C3[N+](=O)[O-])C(=O)NC2=O

InChI

InChI=1S/C14H12N4O4/c19-12-10-5-1-3-9(11(10)13(20)16-12)4-2-7-17-8-6-15-14(17)18(21)22/h1,3,5-6,8H,2,4,7H2,(H,16,19,20)