(phenylmethyl) N-(1,7-dinitroheptan-2-yl)carbamate

Systemtic Name: (phenylmethyl) N-(1,7-dinitroheptan-2-yl)carbamate Openeye Name: benzyl N-[6-nitro-1-(nitromethyl)hexyl]carbamate CAS Name: N-(1,7-dinitroheptan-2-yl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(1,7-dinitroheptan-2-yl)carbamate Traditional Name: N-[6-nitro-1-(nitromethyl)hexyl]carbamic acid benzyl ester Formula: C15H21N3O6 MolecularWeight: 339.34374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCCC[N+](=O)[O-])C[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCCCC[N+](=O)[O-])C[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O6/c19-15(24-12-13-7-3-1-4-8-13)16-14(11-18(22)23)9-5-2-6-10-17(20)21/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,16,19)