(3-fluoranyl-4-methoxy-phenyl)methyl (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]propanoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propionic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C18H16ClFN2O6 MolecularWeight: 410.780843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClFN2O6/c1-10(18(24)28-9-11-3-6-16(27-2)14(20)7-11)21-17(23)12-4-5-13(19)15(8-12)22(25)26/h3-8,10H,9H2,1-2H3,(H,21,23)/t10-/m0/s1