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

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 3-(2-nitroimidazol-1-yl)propanoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 3-(2-nitroimidazol-1-yl)propanoate CAS Name: 3-(2-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-nitroimidazol-1-yl)propanoate Traditional Name: 3-(2-nitroimidazol-1-yl)propionic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C12H14N6O6 MolecularWeight: 338.27616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)CCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)CCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H14N6O6/c1-9-14-8-10(17(20)21)16(9)6-7-24-11(19)2-4-15-5-3-13-12(15)18(22)23/h3,5,8H,2,4,6-7H2,1H3