4-(2-fluoranyl-4-nitro-phenyl)-3-(hydroxymethyl)piperazine-1-carboxylic acid

Systemtic Name: 4-(2-fluoranyl-4-nitro-phenyl)-3-(hydroxymethyl)piperazine-1-carboxylic acid Openeye Name: 4-(2-fluoro-4-nitro-phenyl)-3-(hydroxymethyl)piperazine-1-carboxylic acid CAS Name: 4-(2-fluoro-4-nitrophenyl)-3-(hydroxymethyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(2-fluoro-4-nitrophenyl)-3-(hydroxymethyl)piperazine-1-carboxylic acid Traditional Name: 4-(2-fluoro-4-nitro-phenyl)-3-methylol-piperazine-1-carboxylic acid Formula: C12H14FN3O5 MolecularWeight: 299.255063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)O)CO)C2=C(C=C(C=C2)[N+](=O)[O-])F

Isomeric SMILES

C1CN(C(CN1C(=O)O)CO)C2=C(C=C(C=C2)[N+](=O)[O-])F

InChI

InChI=1S/C12H14FN3O5/c13-10-5-8(16(20)21)1-2-11(10)15-4-3-14(12(18)19)6-9(15)7-17/h1-2,5,9,17H,3-4,6-7H2,(H,18,19)