[2-nitro-2-(phenylcarbamoyloxymethyl)butyl] N-phenylcarbamate

Systemtic Name: [2-nitro-2-(phenylcarbamoyloxymethyl)butyl] N-phenylcarbamate Openeye Name: [2-nitro-2-(phenylcarbamoyloxymethyl)butyl] N-phenylcarbamate CAS Name: N-phenylcarbamic acid [2-[[anilino(oxo)methoxy]methyl]-2-nitrobutyl] ester IUPAC Name: [2-nitro-2-(phenylcarbamoyloxymethyl)butyl] N-phenylcarbamate Traditional Name: N-phenylcarbamic acid [2-nitro-2-(phenylcarbamoyloxymethyl)butyl] ester Formula: C19H21N3O6 MolecularWeight: 387.38654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)NC1=CC=CC=C1)(COC(=O)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(COC(=O)NC1=CC=CC=C1)(COC(=O)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6/c1-2-19(22(25)26,13-27-17(23)20-15-9-5-3-6-10-15)14-28-18(24)21-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,20,23)(H,21,24)