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

Systemtic Name: 4-[(4-fluoranyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-fluoro-2-nitro-anilino)-4-oxo-butanoic acid CAS Name: 4-(4-fluoro-2-nitroanilino)-4-oxobutanoic acid IUPAC Name: 4-(4-fluoro-2-nitroanilino)-4-oxobutanoic acid Traditional Name: 4-(4-fluoro-2-nitro-anilino)-4-keto-butyric acid Formula: C10H9FN2O5 MolecularWeight: 256.187263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9FN2O5/c11-6-1-2-7(8(5-6)13(17)18)12-9(14)3-4-10(15)16/h1-2,5H,3-4H2,(H,12,14)(H,15,16)