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

Systemtic Name: 4-[2-(2-nitroimidazol-1-yl)ethyl]isoindole-1,3-dione Openeye Name: 4-[2-(2-nitroimidazol-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 4-[2-(2-nitro-1-imidazolyl)ethyl]isoindole-1,3-dione IUPAC Name: 4-[2-(2-nitroimidazol-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 4-[2-(2-nitroimidazol-1-yl)ethyl]isoindoline-1,3-quinone Formula: C13H10N4O4 MolecularWeight: 286.2429

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CCN3C=CN=C3[N+](=O)[O-])C(=O)NC2=O

Isomeric SMILES

C1=CC2=C(C(=C1)CCN3C=CN=C3[N+](=O)[O-])C(=O)NC2=O

InChI

InChI=1S/C13H10N4O4/c18-11-9-3-1-2-8(10(9)12(19)15-11)4-6-16-7-5-14-13(16)17(20)21/h1-3,5,7H,4,6H2,(H,15,18,19)