1,3-bis(1-methyl-5-nitro-imidazol-2-yl)-3-oxidanyl-propan-1-one

Systemtic Name: 1,3-bis(1-methyl-5-nitro-imidazol-2-yl)-3-oxidanyl-propan-1-one Openeye Name: 3-hydroxy-1,3-bis(1-methyl-5-nitro-imidazol-2-yl)propan-1-one CAS Name: 3-hydroxy-1,3-bis(1-methyl-5-nitro-2-imidazolyl)-1-propanone IUPAC Name: 3-hydroxy-1,3-bis(1-methyl-5-nitroimidazol-2-yl)propan-1-one Traditional Name: 3-hydroxy-1,3-bis(1-methyl-5-nitro-imidazol-2-yl)propan-1-one Formula: C11H12N6O6 MolecularWeight: 324.24958

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C(CC(=O)C2=NC=C(N2C)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C(CC(=O)C2=NC=C(N2C)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C11H12N6O6/c1-14-8(16(20)21)4-12-10(14)6(18)3-7(19)11-13-5-9(15(11)2)17(22)23/h4-6,18H,3H2,1-2H3