3-(3-bromanyl-4,5-dimethoxy-phenyl)-4-[(2-methyl-1-phenyl-propan-2-yl)amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(3-bromanyl-4,5-dimethoxy-phenyl)-4-[(2-methyl-1-phenyl-propan-2-yl)amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(3-bromo-4,5-dimethoxy-phenyl)-4-[(1,1-dimethyl-2-phenyl-ethyl)amino]cyclobut-3-ene-1,2-dione CAS Name: 3-(3-bromo-4,5-dimethoxyphenyl)-4-[(2-methyl-1-phenylpropan-2-yl)amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(3-bromo-4,5-dimethoxyphenyl)-4-[(2-methyl-1-phenylpropan-2-yl)amino]cyclobut-3-ene-1,2-dione Traditional Name: 3-(3-bromo-4,5-dimethoxy-phenyl)-4-[(1,1-dimethyl-2-phenyl-ethyl)amino]cyclobut-3-ene-1,2-quinone Formula: C22H22BrNO4 MolecularWeight: 444.31838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1)NC2=C(C(=O)C2=O)C3=CC(=C(C(=C3)Br)OC)OC

Isomeric SMILES

CC(C)(CC1=CC=CC=C1)NC2=C(C(=O)C2=O)C3=CC(=C(C(=C3)Br)OC)OC

InChI

InChI=1S/C22H22BrNO4/c1-22(2,12-13-8-6-5-7-9-13)24-18-17(19(25)20(18)26)14-10-15(23)21(28-4)16(11-14)27-3/h5-11,24H,12H2,1-4H3