2-(2-chloranyl-6-fluoranyl-phenyl)ethyl 4-(4-nitrophenyl)piperazine-1-carboxylate

Systemtic Name: 2-(2-chloranyl-6-fluoranyl-phenyl)ethyl 4-(4-nitrophenyl)piperazine-1-carboxylate Openeye Name: 2-(2-chloro-6-fluoro-phenyl)ethyl 4-(4-nitrophenyl)piperazine-1-carboxylate CAS Name: 4-(4-nitrophenyl)-1-piperazinecarboxylic acid 2-(2-chloro-6-fluorophenyl)ethyl ester IUPAC Name: 2-(2-chloro-6-fluorophenyl)ethyl 4-(4-nitrophenyl)piperazine-1-carboxylate Traditional Name: 4-(4-nitrophenyl)piperazine-1-carboxylic acid 2-(2-chloro-6-fluoro-phenyl)ethyl ester Formula: C19H19ClFN3O4 MolecularWeight: 407.823263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H19ClFN3O4/c20-17-2-1-3-18(21)16(17)8-13-28-19(25)23-11-9-22(10-12-23)14-4-6-15(7-5-14)24(26)27/h1-7H,8-13H2