2-[(4-fluoranyl-3-nitro-phenyl)carbonylamino]-2-methyl-pentanoic acid

Systemtic Name: 2-[(4-fluoranyl-3-nitro-phenyl)carbonylamino]-2-methyl-pentanoic acid Openeye Name: 2-[(4-fluoro-3-nitro-benzoyl)amino]-2-methyl-pentanoic acid CAS Name: 2-[[(4-fluoro-3-nitrophenyl)-oxomethyl]amino]-2-methylpentanoic acid IUPAC Name: 2-[(4-fluoro-3-nitrobenzoyl)amino]-2-methylpentanoic acid Traditional Name: 2-[(4-fluoro-3-nitro-benzoyl)amino]-2-methyl-valeric acid Formula: C13H15FN2O5 MolecularWeight: 298.267003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15FN2O5/c1-3-6-13(2,12(18)19)15-11(17)8-4-5-9(14)10(7-8)16(20)21/h4-5,7H,3,6H2,1-2H3,(H,15,17)(H,18,19)