2-[5-(2-nitroimidazol-1-yl)pentyl]isoindole-1,3-dione

Systemtic Name: 2-[5-(2-nitroimidazol-1-yl)pentyl]isoindole-1,3-dione Openeye Name: 2-[5-(2-nitroimidazol-1-yl)pentyl]isoindoline-1,3-dione CAS Name: 2-[5-(2-nitro-1-imidazolyl)pentyl]isoindole-1,3-dione IUPAC Name: 2-[5-(2-nitroimidazol-1-yl)pentyl]isoindole-1,3-dione Traditional Name: 2-[5-(2-nitroimidazol-1-yl)pentyl]isoindoline-1,3-quinone Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCN3C=CN=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCN3C=CN=C3[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4/c21-14-12-6-2-3-7-13(12)15(22)19(14)10-5-1-4-9-18-11-8-17-16(18)20(23)24/h2-3,6-8,11H,1,4-5,9-10H2