1,3-bis(2-methyl-4-nitro-imidazol-1-yl)propan-2-yl ethanoate

Systemtic Name: 1,3-bis(2-methyl-4-nitro-imidazol-1-yl)propan-2-yl ethanoate Openeye Name: [2-(2-methyl-4-nitro-imidazol-1-yl)-1-[(2-methyl-4-nitro-imidazol-1-yl)methyl]ethyl] acetate CAS Name: acetic acid 1,3-bis(2-methyl-4-nitro-1-imidazolyl)propan-2-yl ester IUPAC Name: 1,3-bis(2-methyl-4-nitroimidazol-1-yl)propan-2-yl acetate Traditional Name: acetic acid [2-(2-methyl-4-nitro-imidazol-1-yl)-1-[(2-methyl-4-nitro-imidazol-1-yl)methyl]ethyl] ester Formula: C13H16N6O6 MolecularWeight: 352.30274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CC(CN2C=C(N=C2C)[N+](=O)[O-])OC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1CC(CN2C=C(N=C2C)[N+](=O)[O-])OC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H16N6O6/c1-8-14-12(18(21)22)6-16(8)4-11(25-10(3)20)5-17-7-13(19(23)24)15-9(17)2/h6-7,11H,4-5H2,1-3H3