propyl N-(4-methylsulfonyl-2,6-dinitro-phenyl)carbamate

Systemtic Name: propyl N-(4-methylsulfonyl-2,6-dinitro-phenyl)carbamate Openeye Name: propyl N-(4-methylsulfonyl-2,6-dinitro-phenyl)carbamate CAS Name: N-(4-methylsulfonyl-2,6-dinitrophenyl)carbamic acid propyl ester IUPAC Name: propyl N-(4-methylsulfonyl-2,6-dinitrophenyl)carbamate Traditional Name: N-(4-mesyl-2,6-dinitro-phenyl)carbamic acid propyl ester Formula: C11H13N3O8S MolecularWeight: 347.30122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)NC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)NC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O8S/c1-3-4-22-11(15)12-10-8(13(16)17)5-7(23(2,20)21)6-9(10)14(18)19/h5-6H,3-4H2,1-2H3,(H,12,15)