aniline; 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid

Systemtic Name: aniline; 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid Openeye Name: aniline; 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid CAS Name: aniline; 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid IUPAC Name: aniline; 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid Traditional Name: phenylamine; 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid Formula: C16H12F3N3O3 MolecularWeight: 351.27999

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N.C1=CC(=CC=C1C2=NOC(=N2)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N.C1=CC(=CC=C1C2=NOC(=N2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C10H5F3N2O3.C6H7N/c11-10(12,13)9-14-7(15-18-9)5-1-3-6(4-2-5)8(16)17;7-6-4-2-1-3-5-6/h1-4H,(H,16,17);1-5H,7H2