6-[(4-fluoranyl-2-nitro-phenyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(4-fluoranyl-2-nitro-phenyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-(4-fluoro-2-nitro-anilino)-6-oxo-hexanoic acid CAS Name: 6-(4-fluoro-2-nitroanilino)-6-oxohexanoic acid IUPAC Name: 6-(4-fluoro-2-nitroanilino)-6-oxohexanoic acid Traditional Name: 6-(4-fluoro-2-nitro-anilino)-6-keto-hexanoic acid Formula: C12H13FN2O5 MolecularWeight: 284.240423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)[N+](=O)[O-])NC(=O)CCCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1F)[N+](=O)[O-])NC(=O)CCCCC(=O)O

InChI

InChI=1S/C12H13FN2O5/c13-8-5-6-9(10(7-8)15(19)20)14-11(16)3-1-2-4-12(17)18/h5-7H,1-4H2,(H,14,16)(H,17,18)