cyanomethyl (2S)-3-[4-[(2-nitrophenyl)methoxy]phenyl]-2-oxidanyl-propanoate

Systemtic Name: cyanomethyl (2S)-3-[4-[(2-nitrophenyl)methoxy]phenyl]-2-oxidanyl-propanoate Openeye Name: cyanomethyl (2S)-2-hydroxy-3-[4-[(2-nitrophenyl)methoxy]phenyl]propanoate CAS Name: (2S)-2-hydroxy-3-[4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S)-2-hydroxy-3-[4-[(2-nitrophenyl)methoxy]phenyl]propanoate Traditional Name: (2S)-2-hydroxy-3-[4-(2-nitrobenzyl)oxyphenyl]propionic acid cyanomethyl ester Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC2=CC=C(C=C2)CC(C(=O)OCC#N)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)COC2=CC=C(C=C2)C[C@@H](C(=O)OCC#N)O)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O6/c19-9-10-25-18(22)17(21)11-13-5-7-15(8-6-13)26-12-14-3-1-2-4-16(14)20(23)24/h1-8,17,21H,10-12H2/t17-/m0/s1