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

Systemtic Name: 3-(tert-butylamino)-4-[(3-chloranyl-4-fluoranyl-phenyl)methylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(tert-butylamino)-4-[(3-chloro-4-fluoro-phenyl)methylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-(tert-butylamino)-4-[(3-chloro-4-fluorophenyl)methylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(tert-butylamino)-4-[(3-chloro-4-fluorophenyl)methylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-(tert-butylamino)-4-[(3-chloro-4-fluoro-benzyl)amino]cyclobut-3-ene-1,2-quinone Formula: C15H16ClFN2O2 MolecularWeight: 310.751143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClFN2O2/c1-15(2,3)19-12-11(13(20)14(12)21)18-7-8-4-5-10(17)9(16)6-8/h4-6,18-19H,7H2,1-3H3