(2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl N-(4-nitrophenyl)carbamate

Systemtic Name: (2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl N-(4-nitrophenyl)carbamate Openeye Name: (2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl N-(4-nitrophenyl)carbamate CAS Name: N-(4-nitrophenyl)carbamic 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-(4-nitrophenyl)carbamate Traditional Name: N-(4-nitrophenyl)carbamic acid (2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl ester Formula: C14H17N3O8 MolecularWeight: 355.30008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O8/c1-13(2)24-8-14(9-25-13,17(21)22)7-23-12(18)15-10-3-5-11(6-4-10)16(19)20/h3-6H,7-9H2,1-2H3,(H,15,18)