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

Systemtic Name: methyl (2S)-2-[(2-fluoranyl-4-nitro-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[(2-fluoranyl-4-nitro-benzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-fluoranyl-4-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-fluoranyl-4-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-fluoranyl-4-nitro-benzoyl)amino]-3-methyl-butyric acid methyl ester Formula: C13H15FN2O5 MolecularWeight: 297.269538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15FN2O5/c1-7(2)11(13(18)21-3)15-12(17)9-5-4-8(16(19)20)6-10(9)14/h4-7,11H,1-3H3,(H,15,17)/t11-/m0/s1/i14-1