(2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl N-pyridin-4-ylcarbamate

Systemtic Name: (2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl N-pyridin-4-ylcarbamate Openeye Name: (2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl N-(4-pyridyl)carbamate CAS Name: N-pyridin-4-ylcarbamic acid (2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl ester IUPAC Name: (2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl N-pyridin-4-ylcarbamate Traditional Name: N-(4-pyridyl)carbamic acid (2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl ester Formula: C13H17N3O6 MolecularWeight: 311.29058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)(COC(=O)NC2=CC=NC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(OCC(CO1)(COC(=O)NC2=CC=NC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H17N3O6/c1-12(2)21-8-13(9-22-12,16(18)19)7-20-11(17)15-10-3-5-14-6-4-10/h3-6H,7-9H2,1-2H3,(H,14,15,17)