2-[(5-fluoranyl-2,4-dinitro-phenyl)amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[(5-fluoranyl-2,4-dinitro-phenyl)amino]-4-methyl-pentanoic acid Openeye Name: 2-(5-fluoro-2,4-dinitro-anilino)-4-methyl-pentanoic acid CAS Name: 2-(5-fluoro-2,4-dinitroanilino)-4-methylpentanoic acid IUPAC Name: 2-(5-fluoro-2,4-dinitroanilino)-4-methylpentanoic acid Traditional Name: 2-(5-fluoro-2,4-dinitro-anilino)-4-methyl-valeric acid Formula: C12H14FN3O6 MolecularWeight: 315.254463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14FN3O6/c1-6(2)3-9(12(17)18)14-8-4-7(13)10(15(19)20)5-11(8)16(21)22/h4-6,9,14H,3H2,1-2H3,(H,17,18)