2-[2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)oxy]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)oxy]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)oxy]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)oxy]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)oxy]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)oxy]ethyl]isoindoline-1,3-quinone Formula: C13H11N5O5 MolecularWeight: 317.25694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)[N+](=O)[O-])OCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CN1C(=NC(=N1)[N+](=O)[O-])OCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C13H11N5O5/c1-16-13(14-12(15-16)18(21)22)23-7-6-17-10(19)8-4-2-3-5-9(8)11(17)20/h2-5H,6-7H2,1H3