3-(3-methoxyphenyl)-4-(2-methylbutan-2-ylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(3-methoxyphenyl)-4-(2-methylbutan-2-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-(1,1-dimethylpropylamino)-4-(3-methoxyphenyl)cyclobut-3-ene-1,2-dione CAS Name: 3-(3-methoxyphenyl)-4-(2-methylbutan-2-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(3-methoxyphenyl)-4-(2-methylbutan-2-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-(tert-amylamino)-4-(3-methoxyphenyl)cyclobut-3-ene-1,2-quinone Formula: C16H19NO3 MolecularWeight: 273.32696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO3/c1-5-16(2,3)17-13-12(14(18)15(13)19)10-7-6-8-11(9-10)20-4/h6-9,17H,5H2,1-4H3