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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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