bis[2-(4-ethyl-2-nitro-imidazol-2-yl)ethyl] butanedioate

Systemtic Name: bis[2-(4-ethyl-2-nitro-imidazol-2-yl)ethyl] butanedioate Openeye Name: bis[2-(4-ethyl-2-nitro-imidazol-2-yl)ethyl] butanedioate CAS Name: butanedioic acid bis[2-(4-ethyl-2-nitro-2-imidazolyl)ethyl] ester IUPAC Name: bis[2-(4-ethyl-2-nitroimidazol-2-yl)ethyl] butanedioate Traditional Name: succinic acid bis[2-(4-ethyl-2-nitro-imidazol-2-yl)ethyl] ester Formula: C18H24N6O8 MolecularWeight: 452.41856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(N=C1)(CCOC(=O)CCC(=O)OCCC2(N=CC(=N2)CC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(N=C1)(CCOC(=O)CCC(=O)OCCC2(N=CC(=N2)CC)[N+](=O)[O-])[N+](=O)[O-]

InChI

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