3-(3,4-dihydro-2H-chromen-6-yl)-4-(3-oxidanylidene-1H-isoindol-2-yl)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(3,4-dihydro-2H-chromen-6-yl)-4-(3-oxidanylidene-1H-isoindol-2-yl)cyclobut-3-ene-1,2-dione Openeye Name: 3-chroman-6-yl-4-(1-oxoisoindolin-2-yl)cyclobut-3-ene-1,2-dione CAS Name: 3-(3,4-dihydro-2H-1-benzopyran-6-yl)-4-(3-oxo-1H-isoindol-2-yl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(3,4-dihydro-2H-chromen-6-yl)-4-(3-oxo-1H-isoindol-2-yl)cyclobut-3-ene-1,2-dione Traditional Name: 3-chroman-6-yl-4-(1-ketoisoindolin-2-yl)cyclobut-3-ene-1,2-quinone Formula: C21H15NO4 MolecularWeight: 345.3481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C3=C(C(=O)C3=O)N4CC5=CC=CC=C5C4=O)OC1

Isomeric SMILES

C1CC2=C(C=CC(=C2)C3=C(C(=O)C3=O)N4CC5=CC=CC=C5C4=O)OC1

InChI

InChI=1S/C21H15NO4/c23-19-17(13-7-8-16-12(10-13)5-3-9-26-16)18(20(19)24)22-11-14-4-1-2-6-15(14)21(22)25/h1-2,4,6-8,10H,3,5,9,11H2