2-[2-chloranyl-4-(trifluoromethyl)phenyl]-6-nitro-cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: 2-[2-chloranyl-4-(trifluoromethyl)phenyl]-6-nitro-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 2-[2-chloro-4-(trifluoromethyl)phenyl]-6-nitro-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 2-[2-chloro-4-(trifluoromethyl)phenyl]-6-nitro-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 2-[2-chloro-4-(trifluoromethyl)phenyl]-6-nitrocyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 2-[2-chloro-4-(trifluoromethyl)phenyl]-6-nitro-cyclohexa-1,5-diene-1-carboxylic acid Formula: C14H9ClF3NO4 MolecularWeight: 347.67377

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C2=C(C=C(C=C2)C(F)(F)F)Cl

Isomeric SMILES

C1CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C2=C(C=C(C=C2)C(F)(F)F)Cl

InChI

InChI=1S/C14H9ClF3NO4/c15-10-6-7(14(16,17)18)4-5-8(10)9-2-1-3-11(19(22)23)12(9)13(20)21/h3-6H,1-2H2,(H,20,21)