3-(2-bromanyl-4,6-dimethoxy-phenyl)-4-(2-methylbutan-2-ylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(2-bromanyl-4,6-dimethoxy-phenyl)-4-(2-methylbutan-2-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-(2-bromo-4,6-dimethoxy-phenyl)-4-(1,1-dimethylpropylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-(2-bromo-4,6-dimethoxyphenyl)-4-(2-methylbutan-2-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(2-bromo-4,6-dimethoxyphenyl)-4-(2-methylbutan-2-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-(tert-amylamino)-4-(2-bromo-4,6-dimethoxy-phenyl)cyclobut-3-ene-1,2-quinone Formula: C17H20BrNO4 MolecularWeight: 382.249

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC1=C(C(=O)C1=O)C2=C(C=C(C=C2Br)OC)OC

Isomeric SMILES

CCC(C)(C)NC1=C(C(=O)C1=O)C2=C(C=C(C=C2Br)OC)OC

InChI

InChI=1S/C17H20BrNO4/c1-6-17(2,3)19-14-13(15(20)16(14)21)12-10(18)7-9(22-4)8-11(12)23-5/h7-8,19H,6H2,1-5H3