2-(3,5,7-trimethoxy-2H-azepin-2-yl)isoindole-1,3-dione

Systemtic Name: 2-(3,5,7-trimethoxy-2H-azepin-2-yl)isoindole-1,3-dione Openeye Name: 2-(3,5,7-trimethoxy-2H-azepin-2-yl)isoindoline-1,3-dione CAS Name: 2-(3,5,7-trimethoxy-2H-azepin-2-yl)isoindole-1,3-dione IUPAC Name: 2-(3,5,7-trimethoxy-2H-azepin-2-yl)isoindole-1,3-dione Traditional Name: 2-(3,5,7-trimethoxy-2H-azepin-2-yl)isoindoline-1,3-quinone Formula: C17H16N2O5 MolecularWeight: 328.31934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(C(=C1)OC)N2C(=O)C3=CC=CC=C3C2=O)OC

Isomeric SMILES

COC1=CC(=NC(C(=C1)OC)N2C(=O)C3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C17H16N2O5/c1-22-10-8-13(23-2)15(18-14(9-10)24-3)19-16(20)11-6-4-5-7-12(11)17(19)21/h4-9,15H,1-3H3