2-chloroethyl N-(2,4,6-trimethoxy-3-nitro-phenyl)carbamate

Systemtic Name: 2-chloroethyl N-(2,4,6-trimethoxy-3-nitro-phenyl)carbamate Openeye Name: 2-chloroethyl N-(2,4,6-trimethoxy-3-nitro-phenyl)carbamate CAS Name: N-(2,4,6-trimethoxy-3-nitrophenyl)carbamic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl N-(2,4,6-trimethoxy-3-nitrophenyl)carbamate Traditional Name: N-(2,4,6-trimethoxy-3-nitro-phenyl)carbamic acid 2-chloroethyl ester Formula: C12H15ClN2O7 MolecularWeight: 334.7097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1NC(=O)OCCCl)OC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C(=C1NC(=O)OCCCl)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C12H15ClN2O7/c1-19-7-6-8(20-2)10(15(17)18)11(21-3)9(7)14-12(16)22-5-4-13/h6H,4-5H2,1-3H3,(H,14,16)