2-(2-fluoranyl-4-nitro-3-phenylmethoxy-phenyl)propanedioic acid

Systemtic Name: 2-(2-fluoranyl-4-nitro-3-phenylmethoxy-phenyl)propanedioic acid Openeye Name: 2-(3-benzyloxy-2-fluoro-4-nitro-phenyl)propanedioic acid CAS Name: 2-(2-fluoro-4-nitro-3-phenylmethoxyphenyl)propanedioic acid IUPAC Name: 2-(2-fluoro-4-nitro-3-phenylmethoxyphenyl)propanedioic acid Traditional Name: 2-(3-benzoxy-2-fluoro-4-nitro-phenyl)malonic acid Formula: C16H12FNO7 MolecularWeight: 349.267383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=CC(=C2F)C(C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=CC(=C2F)C(C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H12FNO7/c17-13-10(12(15(19)20)16(21)22)6-7-11(18(23)24)14(13)25-8-9-4-2-1-3-5-9/h1-7,12H,8H2,(H,19,20)(H,21,22)