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

Systemtic Name: 2-[2-(5-nitroimidazol-1-yl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(5-nitroimidazol-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(5-nitro-1-imidazolyl)ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(5-nitroimidazol-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(5-nitroimidazol-1-yl)ethyl]isoindoline-1,3-quinone Formula: C13H10N4O4 MolecularWeight: 286.2429

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCN3C=NC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCN3C=NC=C3[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O4/c18-12-9-3-1-2-4-10(9)13(19)16(12)6-5-15-8-14-7-11(15)17(20)21/h1-4,7-8H,5-6H2