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

Systemtic Name: bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] butanedioate Openeye Name: bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] butanedioate CAS Name: butanedioic acid bis[2-(2-methyl-5-nitro-1-imidazolyl)ethyl] ester IUPAC Name: bis[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] butanedioate Traditional Name: succinic acid bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] ester Formula: C16H20N6O8 MolecularWeight: 424.3654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O8/c1-11-17-9-13(21(25)26)19(11)5-7-29-15(23)3-4-16(24)30-8-6-20-12(2)18-10-14(20)22(27)28/h9-10H,3-8H2,1-2H3