4-chloranyl-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-nitro-benzamide Openeye Name: 4-chloro-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-nitrobenzamide Traditional Name: 4-chloro-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-nitro-benzamide Formula: C17H17ClFN3O3 MolecularWeight: 365.786583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-])C2=CC(=CC=C2)F

Isomeric SMILES

CN(C)[C@H](CNC(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-])C2=CC(=CC=C2)F

InChI

InChI=1S/C17H17ClFN3O3/c1-21(2)16(11-4-3-5-13(19)8-11)10-20-17(23)14-7-6-12(18)9-15(14)22(24)25/h3-9,16H,10H2,1-2H3,(H,20,23)/t16-/m1/s1