2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxycarbonyl]-6-nitro-benzoate

Systemtic Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxycarbonyl]-6-nitro-benzoate Openeye Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxycarbonyl]-6-nitro-benzoate CAS Name: 2-[2-(2-methyl-5-nitro-1-imidazolyl)ethoxy-oxomethyl]-6-nitrobenzoate IUPAC Name: 2-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxycarbonyl]-6-nitrobenzoate Traditional Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxycarbonyl]-6-nitro-benzoate Formula: C14H11N4O8- MolecularWeight: 363.25914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O8/c1-8-15-7-11(18(24)25)16(8)5-6-26-14(21)9-3-2-4-10(17(22)23)12(9)13(19)20/h2-4,7H,5-6H2,1H3,(H,19,20)/p-1