3-(tert-butylamino)-4-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(tert-butylamino)-4-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(tert-butylamino)-4-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-(tert-butylamino)-4-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(tert-butylamino)-4-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-(tert-butylamino)-4-[[3-(trifluoromethyl)benzyl]amino]cyclobut-3-ene-1,2-quinone Formula: C16H17F3N2O2 MolecularWeight: 326.31359

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=C(C(=O)C1=O)NCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)NC1=C(C(=O)C1=O)NCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C16H17F3N2O2/c1-15(2,3)21-12-11(13(22)14(12)23)20-8-9-5-4-6-10(7-9)16(17,18)19/h4-7,20-21H,8H2,1-3H3