1-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(3-nitro-1,2,4-triazol-1-yl)-4-oxidanyl-pentan-2-one

Systemtic Name: 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(3-nitro-1,2,4-triazol-1-yl)-4-oxidanyl-pentan-2-one Openeye Name: 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-5-(3-nitro-1,2,4-triazol-1-yl)pentan-2-one CAS Name: 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-5-(3-nitro-1,2,4-triazol-1-yl)-2-pentanone IUPAC Name: 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-5-(3-nitro-1,2,4-triazol-1-yl)pentan-2-one Traditional Name: 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-5-(3-nitro-1,2,4-triazol-1-yl)pentan-2-one Formula: C12H18N4O6 MolecularWeight: 314.29452

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)CC(=O)CC(CN2C=NC(=N2)[N+](=O)[O-])O)C

Isomeric SMILES

CC1(OCC(O1)CC(=O)CC(CN2C=NC(=N2)[N+](=O)[O-])O)C

InChI

InChI=1S/C12H18N4O6/c1-12(2)21-6-10(22-12)4-8(17)3-9(18)5-15-7-13-11(14-15)16(19)20/h7,9-10,18H,3-6H2,1-2H3