bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] pentanedioate

Systemtic Name: bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] pentanedioate Openeye Name: bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] pentanedioate CAS Name: pentanedioic acid bis[2-(2-methyl-5-nitro-1-imidazolyl)ethyl] ester IUPAC Name: bis[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] pentanedioate Traditional Name: glutaric acid bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] ester Formula: C17H22N6O8 MolecularWeight: 438.39198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)CCCC(=O)OCCN2C(=NC=C2[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)CCCC(=O)OCCN2C(=NC=C2[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O8/c1-12-18-10-14(22(26)27)20(12)6-8-30-16(24)4-3-5-17(25)31-9-7-21-13(2)19-11-15(21)23(28)29/h10-11H,3-9H2,1-2H3