(phenylmethyl) (2S,3R)-2-[(4-fluoranyl-2-nitro-phenyl)carbonylamino]-3-oxidanyl-butanoate

Systemtic Name: (phenylmethyl) (2S,3R)-2-[(4-fluoranyl-2-nitro-phenyl)carbonylamino]-3-oxidanyl-butanoate Openeye Name: benzyl (2S,3R)-2-[(4-fluoro-2-nitro-benzoyl)amino]-3-hydroxy-butanoate CAS Name: (2S,3R)-2-[[(4-fluoro-2-nitrophenyl)-oxomethyl]amino]-3-hydroxybutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R)-2-[(4-fluoro-2-nitrobenzoyl)amino]-3-hydroxybutanoate Traditional Name: (2S,3R)-2-[(4-fluoro-2-nitro-benzoyl)amino]-3-hydroxy-butyric acid benzyl ester Formula: C18H17FN2O6 MolecularWeight: 376.335783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)F)[N+](=O)[O-])O

Isomeric SMILES

C[C@H]([C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)F)[N+](=O)[O-])O

InChI

InChI=1S/C18H17FN2O6/c1-11(22)16(18(24)27-10-12-5-3-2-4-6-12)20-17(23)14-8-7-13(19)9-15(14)21(25)26/h2-9,11,16,22H,10H2,1H3,(H,20,23)/t11-,16+/m1/s1