methyl (2S,3R)-2-benzamido-3-(4-fluoranyl-3-nitro-phenyl)-3-oxidanyl-propanoate

Systemtic Name: methyl (2S,3R)-2-benzamido-3-(4-fluoranyl-3-nitro-phenyl)-3-oxidanyl-propanoate Openeye Name: methyl (2S,3R)-2-benzamido-3-(4-fluoro-3-nitro-phenyl)-3-hydroxy-propanoate CAS Name: (2S,3R)-2-benzamido-3-(4-fluoro-3-nitrophenyl)-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S,3R)-2-benzamido-3-(4-fluoro-3-nitrophenyl)-3-hydroxypropanoate Traditional Name: (2S,3R)-2-benzamido-3-(4-fluoro-3-nitro-phenyl)-3-hydroxy-propionic acid methyl ester Formula: C17H15FN2O6 MolecularWeight: 362.309203

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1=CC(=C(C=C1)F)[N+](=O)[O-])O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H]([C@@H](C1=CC(=C(C=C1)F)[N+](=O)[O-])O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H15FN2O6/c1-26-17(23)14(19-16(22)10-5-3-2-4-6-10)15(21)11-7-8-12(18)13(9-11)20(24)25/h2-9,14-15,21H,1H3,(H,19,22)/t14-,15+/m0/s1