3-(3,3-dimethylbutylamino)-4-[4-(trifluoromethyl)phenyl]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(3,3-dimethylbutylamino)-4-[4-(trifluoromethyl)phenyl]cyclobut-3-ene-1,2-dione Openeye Name: 3-(3,3-dimethylbutylamino)-4-[4-(trifluoromethyl)phenyl]cyclobut-3-ene-1,2-dione CAS Name: 3-(3,3-dimethylbutylamino)-4-[4-(trifluoromethyl)phenyl]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(3,3-dimethylbutylamino)-4-[4-(trifluoromethyl)phenyl]cyclobut-3-ene-1,2-dione Traditional Name: 3-(3,3-dimethylbutylamino)-4-[4-(trifluoromethyl)phenyl]cyclobut-3-ene-1,2-quinone Formula: C17H18F3NO2 MolecularWeight: 325.32553

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNC1=C(C(=O)C1=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)CCNC1=C(C(=O)C1=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H18F3NO2/c1-16(2,3)8-9-21-13-12(14(22)15(13)23)10-4-6-11(7-5-10)17(18,19)20/h4-7,21H,8-9H2,1-3H3