3-[methyl(phenyl)amino]-4-[methyl(pyren-1-yl)amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[methyl(phenyl)amino]-4-[methyl(pyren-1-yl)amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(N-methylanilino)-4-[methyl(pyren-1-yl)amino]cyclobut-3-ene-1,2-dione CAS Name: 3-(N-methylanilino)-4-[methyl(1-pyrenyl)amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(N-methylanilino)-4-[methyl(pyren-1-yl)amino]cyclobut-3-ene-1,2-dione Traditional Name: 3-(N-methylanilino)-4-[methyl(pyren-1-yl)amino]cyclobut-3-ene-1,2-quinone Formula: C28H20N2O2 MolecularWeight: 416.4706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=C(C(=O)C2=O)N(C)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

Isomeric SMILES

CN(C1=CC=CC=C1)C2=C(C(=O)C2=O)N(C)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

InChI

InChI=1S/C28H20N2O2/c1-29(20-9-4-3-5-10-20)25-26(28(32)27(25)31)30(2)22-16-14-19-12-11-17-7-6-8-18-13-15-21(22)24(19)23(17)18/h3-16H,1-2H3