5-(4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione

Systemtic Name: 5-(4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione Openeye Name: 5-(4-oxo-3,1-benzoxazin-2-yl)-2-(tetrahydrofuran-2-ylmethyl)isoindoline-1,3-dione CAS Name: 5-(4-oxo-3,1-benzoxazin-2-yl)-2-(2-oxolanylmethyl)isoindole-1,3-dione IUPAC Name: 5-(4-oxo-3,1-benzoxazin-2-yl)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione Traditional Name: 5-(4-keto-3,1-benzoxazin-2-yl)-2-(tetrahydrofurfuryl)isoindoline-1,3-quinone Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C21H16N2O5/c24-19-14-8-7-12(18-22-17-6-2-1-5-15(17)21(26)28-18)10-16(14)20(25)23(19)11-13-4-3-9-27-13/h1-2,5-8,10,13H,3-4,9,11H2