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

Systemtic Name: 2-[4-(4-nitroimidazol-1-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-nitroimidazol-1-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(4-nitro-1-imidazolyl)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-nitroimidazol-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(4-nitroimidazol-1-yl)butyl]isoindoline-1,3-quinone Formula: C15H14N4O4 MolecularWeight: 314.29606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O4/c20-14-11-5-1-2-6-12(11)15(21)18(14)8-4-3-7-17-9-13(16-10-17)19(22)23/h1-2,5-6,9-10H,3-4,7-8H2