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

Systemtic Name: bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] octanedioate Openeye Name: bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] octanedioate CAS Name: octanedioic acid bis[2-(2-methyl-5-nitro-1-imidazolyl)ethyl] ester IUPAC Name: bis[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] octanedioate Traditional Name: suberic acid bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] ester Formula: C20H28N6O8 MolecularWeight: 480.47172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N6O8/c1-15-21-13-17(25(29)30)23(15)9-11-33-19(27)7-5-3-4-6-8-20(28)34-12-10-24-16(2)22-14-18(24)26(31)32/h13-14H,3-12H2,1-2H3