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

Systemtic Name: (2S)-2-[(2-fluoranyl-4-nitro-phenyl)carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(2-fluoranyl-4-nitro-benzoyl)amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2-fluoranyl-4-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(2-fluoranyl-4-nitrobenzoyl)amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(2-fluoranyl-4-nitro-benzoyl)amino]-3-methyl-butyric acid Formula: C12H13FN2O5 MolecularWeight: 283.242958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[18F]

InChI

InChI=1S/C12H13FN2O5/c1-6(2)10(12(17)18)14-11(16)8-4-3-7(15(19)20)5-9(8)13/h3-6,10H,1-2H3,(H,14,16)(H,17,18)/t10-/m0/s1/i13-1