2-ethanoyl-4-nitro-3-[2-(trifluoromethyl)phenyl]pentanedioic acid

Systemtic Name: 2-ethanoyl-4-nitro-3-[2-(trifluoromethyl)phenyl]pentanedioic acid Openeye Name: 2-acetyl-4-nitro-3-[2-(trifluoromethyl)phenyl]pentanedioic acid CAS Name: 2-acetyl-4-nitro-3-[2-(trifluoromethyl)phenyl]pentanedioic acid IUPAC Name: 2-acetyl-4-nitro-3-[2-(trifluoromethyl)phenyl]pentanedioic acid Traditional Name: 2-acetyl-4-nitro-3-[2-(trifluoromethyl)phenyl]glutaric acid Formula: C14H12F3NO7 MolecularWeight: 363.24279

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C1=CC=CC=C1C(F)(F)F)C(C(=O)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)C(C(C1=CC=CC=C1C(F)(F)F)C(C(=O)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H12F3NO7/c1-6(19)9(12(20)21)10(11(13(22)23)18(24)25)7-4-2-3-5-8(7)14(15,16)17/h2-5,9-11H,1H3,(H,20,21)(H,22,23)