bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid bis[2-(2-methyl-5-nitro-1-imidazolyl)ethyl] ester IUPAC Name: bis[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] ester Formula: C20H19N7O10 MolecularWeight: 517.40576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCCN3C(=NC=C3[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCCN3C(=NC=C3[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C20H19N7O10/c1-12-21-10-17(26(32)33)23(12)3-5-36-19(28)14-7-15(9-16(8-14)25(30)31)20(29)37-6-4-24-13(2)22-11-18(24)27(34)35/h7-11H,3-6H2,1-2H3