bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] benzene-1,4-dicarboxylate

Systemtic Name: bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] benzene-1,4-dicarboxylate Openeye Name: bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid bis[2-(2-methyl-5-nitro-1-imidazolyl)ethyl] ester IUPAC Name: bis[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] ester Formula: C20H20N6O8 MolecularWeight: 472.4082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6O8/c1-13-21-11-17(25(29)30)23(13)7-9-33-19(27)15-3-5-16(6-4-15)20(28)34-10-8-24-14(2)22-12-18(24)26(31)32/h3-6,11-12H,7-10H2,1-2H3