3-[2-nitro-3-phenylmethoxy-6-(trifluoromethyl)phenyl]-2-oxidanylidene-propanoic acid

Systemtic Name: 3-[2-nitro-3-phenylmethoxy-6-(trifluoromethyl)phenyl]-2-oxidanylidene-propanoic acid Openeye Name: 3-[3-benzyloxy-2-nitro-6-(trifluoromethyl)phenyl]-2-oxo-propanoic acid CAS Name: 3-[2-nitro-3-phenylmethoxy-6-(trifluoromethyl)phenyl]-2-oxopropanoic acid IUPAC Name: 3-[2-nitro-3-phenylmethoxy-6-(trifluoromethyl)phenyl]-2-oxopropanoic acid Traditional Name: 3-[3-benzoxy-2-nitro-6-(trifluoromethyl)phenyl]-2-keto-propionic acid Formula: C17H12F3NO6 MolecularWeight: 383.27549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12F3NO6/c18-17(19,20)12-6-7-14(27-9-10-4-2-1-3-5-10)15(21(25)26)11(12)8-13(22)16(23)24/h1-7H,8-9H2,(H,23,24)