4-phenylbutan-2-yl N-(3,5-dinitrophenyl)carbamate

Systemtic Name: 4-phenylbutan-2-yl N-(3,5-dinitrophenyl)carbamate Openeye Name: (1-methyl-3-phenyl-propyl) N-(3,5-dinitrophenyl)carbamate CAS Name: N-(3,5-dinitrophenyl)carbamic acid 4-phenylbutan-2-yl ester IUPAC Name: 4-phenylbutan-2-yl N-(3,5-dinitrophenyl)carbamate Traditional Name: N-(3,5-dinitrophenyl)carbamic acid (1-methyl-3-phenyl-propyl) ester Formula: C17H17N3O6 MolecularWeight: 359.33338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)OC(=O)NC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(CCC1=CC=CC=C1)OC(=O)NC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6/c1-12(7-8-13-5-3-2-4-6-13)26-17(21)18-14-9-15(19(22)23)11-16(10-14)20(24)25/h2-6,9-12H,7-8H2,1H3,(H,18,21)