5-(6-bromanyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione

Systemtic Name: 5-(6-bromanyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione Openeye Name: 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-(tetrahydrofuran-2-ylmethyl)isoindoline-1,3-dione CAS Name: 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-(2-oxolanylmethyl)isoindole-1,3-dione IUPAC Name: 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione Traditional Name: 5-(6-bromo-4-keto-3,1-benzoxazin-2-yl)-2-(tetrahydrofurfuryl)isoindoline-1,3-quinone Formula: C21H15BrN2O5 MolecularWeight: 455.2582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(C=C(C=C5)Br)C(=O)O4

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(C=C(C=C5)Br)C(=O)O4

InChI

InChI=1S/C21H15BrN2O5/c22-12-4-6-17-16(9-12)21(27)29-18(23-17)11-3-5-14-15(8-11)20(26)24(19(14)25)10-13-2-1-7-28-13/h3-6,8-9,13H,1-2,7,10H2