2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 3-(2-methyl-5-nitro-imidazol-1-yl)propanoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 3-(2-methyl-5-nitro-imidazol-1-yl)propanoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 3-(2-methyl-5-nitro-imidazol-1-yl)propanoate CAS Name: 3-(2-methyl-5-nitro-1-imidazolyl)propanoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 3-(2-methyl-5-nitroimidazol-1-yl)propanoate Traditional Name: 3-(2-methyl-5-nitro-imidazol-1-yl)propionic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C13H16N6O6 MolecularWeight: 352.30274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCC(=O)OCCN2C(=NC=C2[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCC(=O)OCCN2C(=NC=C2[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C13H16N6O6/c1-9-14-7-11(18(21)22)16(9)4-3-13(20)25-6-5-17-10(2)15-8-12(17)19(23)24/h7-8H,3-6H2,1-2H3