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

Systemtic Name: bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] hexanedioate Openeye Name: bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] hexanedioate CAS Name: hexanedioic acid bis[2-(2-methyl-5-nitro-1-imidazolyl)ethyl] ester IUPAC Name: bis[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] hexanedioate Traditional Name: adipic acid bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] ester Formula: C18H24N6O8 MolecularWeight: 452.41856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O8/c1-13-19-11-15(23(27)28)21(13)7-9-31-17(25)5-3-4-6-18(26)32-10-8-22-14(2)20-12-16(22)24(29)30/h11-12H,3-10H2,1-2H3