2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-methyl-pentanoic acid

Systemtic Name: 2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-methyl-pentanoic acid Openeye Name: 2-(4-fluoro-2-nitro-anilino)-2-methyl-pentanoic acid CAS Name: 2-(4-fluoro-2-nitroanilino)-2-methylpentanoic acid IUPAC Name: 2-(4-fluoro-2-nitroanilino)-2-methylpentanoic acid Traditional Name: 2-(4-fluoro-2-nitro-anilino)-2-methyl-valeric acid Formula: C12H15FN2O4 MolecularWeight: 270.256903

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NC1=C(C=C(C=C1)F)[N+](=O)[O-]

Isomeric SMILES

CCCC(C)(C(=O)O)NC1=C(C=C(C=C1)F)[N+](=O)[O-]

InChI

InChI=1S/C12H15FN2O4/c1-3-6-12(2,11(16)17)14-9-5-4-8(13)7-10(9)15(18)19/h4-5,7,14H,3,6H2,1-2H3,(H,16,17)