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

Systemtic Name: 3-(methylamino)-4-[methyl(pyren-1-yl)amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(methylamino)-4-[methyl(pyren-1-yl)amino]cyclobut-3-ene-1,2-dione CAS Name: 3-(methylamino)-4-[methyl(1-pyrenyl)amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(methylamino)-4-[methyl(pyren-1-yl)amino]cyclobut-3-ene-1,2-dione Traditional Name: 3-(methylamino)-4-[methyl(pyren-1-yl)amino]cyclobut-3-ene-1,2-quinone Formula: C22H16N2O2 MolecularWeight: 340.37464

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=O)C1=O)N(C)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

CNC1=C(C(=O)C1=O)N(C)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C22H16N2O2/c1-23-19-20(22(26)21(19)25)24(2)16-11-9-14-7-6-12-4-3-5-13-8-10-15(16)18(14)17(12)13/h3-11,23H,1-2H3