O3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] O1-[2-(2-methyl-5-nitro-pyrrol-1-yl)ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] O1-[2-(2-methyl-5-nitro-pyrrol-1-yl)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] O1-[2-(2-methyl-5-nitro-pyrrol-1-yl)ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl] ester O1-[2-(2-methyl-5-nitro-1-pyrrolyl)ethyl] ester IUPAC Name: 3-O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] 1-O-[2-(2-methyl-5-nitropyrrol-1-yl)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] ester O1-[2-(2-methyl-5-nitro-pyrrol-1-yl)ethyl] ester Formula: C21H20N6O10 MolecularWeight: 516.4177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=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=CC=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/C21H20N6O10/c1-13-3-4-18(26(32)33)23(13)5-7-36-20(28)15-9-16(11-17(10-15)25(30)31)21(29)37-8-6-24-14(2)22-12-19(24)27(34)35/h3-4,9-12H,5-8H2,1-2H3