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

Systemtic Name: 3-butyl-4-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-butyl-4-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-butyl-4-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-butyl-4-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-butyl-4-[[3-(trifluoromethyl)benzyl]amino]cyclobut-3-ene-1,2-quinone Formula: C16H16F3NO2 MolecularWeight: 311.29895

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)C1=O)NCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCCCC1=C(C(=O)C1=O)NCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C16H16F3NO2/c1-2-3-7-12-13(15(22)14(12)21)20-9-10-5-4-6-11(8-10)16(17,18)19/h4-6,8,20H,2-3,7,9H2,1H3