(2S)-2-(4-fluorophenyl)-5-oxidanylidene-1,4-diazepane-1-carboxylic acid

Systemtic Name: (2S)-2-(4-fluorophenyl)-5-oxidanylidene-1,4-diazepane-1-carboxylic acid Openeye Name: (2S)-2-(4-fluorophenyl)-5-oxo-1,4-diazepane-1-carboxylic acid CAS Name: (2S)-2-(4-fluorophenyl)-5-oxo-1,4-diazepane-1-carboxylic acid IUPAC Name: (2S)-2-(4-fluorophenyl)-5-oxo-1,4-diazepane-1-carboxylic acid Traditional Name: (2S)-2-(4-fluorophenyl)-5-keto-1,4-diazepane-1-carboxylic acid Formula: C12H13FN2O3 MolecularWeight: 252.241623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CNC1=O)C2=CC=C(C=C2)F)C(=O)O

Isomeric SMILES

C1CN([C@H](CNC1=O)C2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C12H13FN2O3/c13-9-3-1-8(2-4-9)10-7-14-11(16)5-6-15(10)12(17)18/h1-4,10H,5-7H2,(H,14,16)(H,17,18)/t10-/m1/s1