tris[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] benzene-1,3,5-tricarboxylate

Systemtic Name: tris[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] benzene-1,3,5-tricarboxylate Openeye Name: tris[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] benzene-1,3,5-tricarboxylate CAS Name: benzene-1,3,5-tricarboxylic acid tris[2-(2-methyl-5-nitro-1-imidazolyl)ethyl] ester IUPAC Name: tris[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] benzene-1,3,5-tricarboxylate Traditional Name: benzene-1,3,5-tricarboxylic acid tris[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] ester Formula: C27H27N9O12 MolecularWeight: 669.55638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)C2=CC(=CC(=C2)C(=O)OCCN3C(=NC=C3[N+](=O)[O-])C)C(=O)OCCN4C(=NC=C4[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)C2=CC(=CC(=C2)C(=O)OCCN3C(=NC=C3[N+](=O)[O-])C)C(=O)OCCN4C(=NC=C4[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C27H27N9O12/c1-16-28-13-22(34(40)41)31(16)4-7-46-25(37)19-10-20(26(38)47-8-5-32-17(2)29-14-23(32)35(42)43)12-21(11-19)27(39)48-9-6-33-18(3)30-15-24(33)36(44)45/h10-15H,4-9H2,1-3H3