1-azanyl-2-azido-4-methyl-1-(2-nitroimidazol-1-yl)-1-(1-oxidanylpropan-2-yloxy)pentan-3-one

Systemtic Name: 1-azanyl-2-azido-4-methyl-1-(2-nitroimidazol-1-yl)-1-(1-oxidanylpropan-2-yloxy)pentan-3-one Openeye Name: 1-amino-2-azido-1-(2-hydroxy-1-methyl-ethoxy)-4-methyl-1-(2-nitroimidazol-1-yl)pentan-3-one CAS Name: 1-amino-2-azido-1-(1-hydroxypropan-2-yloxy)-4-methyl-1-(2-nitro-1-imidazolyl)-3-pentanone IUPAC Name: 1-amino-2-azido-1-(1-hydroxypropan-2-yloxy)-4-methyl-1-(2-nitroimidazol-1-yl)pentan-3-one Traditional Name: 1-amino-2-azido-1-(2-hydroxy-1-methyl-ethoxy)-4-methyl-1-(2-nitroimidazol-1-yl)pentan-3-one Formula: C12H19N7O5 MolecularWeight: 341.32316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(C(N)(N1C=CN=C1[N+](=O)[O-])OC(C)CO)N=[N+]=[N-]

Isomeric SMILES

CC(C)C(=O)C(C(N)(N1C=CN=C1[N+](=O)[O-])OC(C)CO)N=[N+]=[N-]

InChI

InChI=1S/C12H19N7O5/c1-7(2)9(21)10(16-17-14)12(13,24-8(3)6-20)18-5-4-15-11(18)19(22)23/h4-5,7-8,10,20H,6,13H2,1-3H3