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

Systemtic Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C14H11N5O6 MolecularWeight: 345.26704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O6/c1-8-15-7-12(19(24)25)16(8)4-5-17-13(20)10-3-2-9(18(22)23)6-11(10)14(17)21/h2-3,6-7H,4-5H2,1H3