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

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

Systemtic Name:2-[6-methyl-3-nitro-2-(trifluoromethyl)phenyl]propanoic acid
Openeye Name:2-[6-methyl-3-nitro-2-(trifluoromethyl)phenyl]propanoic acid
CAS Name:2-[6-methyl-3-nitro-2-(trifluoromethyl)phenyl]propanoic acid
IUPAC Name:2-[6-methyl-3-nitro-2-(trifluoromethyl)phenyl]propanoic acid
Traditional Name:2-[6-methyl-3-nitro-2-(trifluoromethyl)phenyl]propionic acid
Formula: C11H10F3NO4
MolecularWeight: 277.19661
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])C(F)(F)F)C(C)C(=O)O


Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])C(F)(F)F)C(C)C(=O)O


InChI

InChI=1S/C11H10F3NO4/c1-5-3-4-7(15(18)19)9(11(12,13)14)8(5)6(2)10(16)17/h3-4,6H,1-2H3,(H,16,17)


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