(2S)-2-[4-nitro-2-(phenylmethyl)phenoxy]propanoic acid

Systemtic Name: (2S)-2-[4-nitro-2-(phenylmethyl)phenoxy]propanoic acid Openeye Name: (2S)-2-(2-benzyl-4-nitro-phenoxy)propanoic acid CAS Name: (2S)-2-[4-nitro-2-(phenylmethyl)phenoxy]propanoic acid IUPAC Name: (2S)-2-(2-benzyl-4-nitrophenoxy)propanoic acid Traditional Name: (2S)-2-(2-benzyl-4-nitro-phenoxy)propionic acid Formula: C16H15NO5 MolecularWeight: 301.294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=C(C=C(C=C1)[N+](=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)O)OC1=C(C=C(C=C1)[N+](=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C16H15NO5/c1-11(16(18)19)22-15-8-7-14(17(20)21)10-13(15)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,18,19)/t11-/m0/s1