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

Systemtic Name: methyl (2S)-2-[3-(3-fluoranyl-4-nitro-phenyl)propanoylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[3-(3-fluoro-4-nitro-phenyl)propanoylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[3-(3-fluoro-4-nitrophenyl)-1-oxopropyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(3-fluoro-4-nitrophenyl)propanoylamino]-3-methylbutanoate Traditional Name: (2S)-2-[3-(3-fluoro-4-nitro-phenyl)propanoylamino]-3-methyl-butyric acid methyl ester Formula: C15H19FN2O5 MolecularWeight: 326.320163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)CCC1=CC(=C(C=C1)[N+](=O)[O-])F

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)CCC1=CC(=C(C=C1)[N+](=O)[O-])F

InChI

InChI=1S/C15H19FN2O5/c1-9(2)14(15(20)23-3)17-13(19)7-5-10-4-6-12(18(21)22)11(16)8-10/h4,6,8-9,14H,5,7H2,1-3H3,(H,17,19)/t14-/m0/s1