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

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butyric acid (5-cyano-2-fluoro-benzyl) ester Formula: C20H17ClFN3O5 MolecularWeight: 433.817483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClFN3O5/c1-11(2)18(20(27)30-10-14-7-12(9-23)3-6-16(14)22)24-19(26)13-4-5-15(21)17(8-13)25(28)29/h3-8,11,18H,10H2,1-2H3,(H,24,26)/t18-/m0/s1