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

Systemtic Name: 2-(5,7-dimethoxy-2H-azepin-2-yl)isoindole-1,3-dione Openeye Name: 2-(5,7-dimethoxy-2H-azepin-2-yl)isoindoline-1,3-dione CAS Name: 2-(5,7-dimethoxy-2H-azepin-2-yl)isoindole-1,3-dione IUPAC Name: 2-(5,7-dimethoxy-2H-azepin-2-yl)isoindole-1,3-dione Traditional Name: 2-(5,7-dimethoxy-2H-azepin-2-yl)isoindoline-1,3-quinone Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O4/c1-21-10-7-8-13(17-14(9-10)22-2)18-15(19)11-5-3-4-6-12(11)16(18)20/h3-9,13H,1-2H3