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

Systemtic Name: 5-(6-bromanyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(3-methylbutyl)isoindole-1,3-dione Openeye Name: 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-isopentyl-isoindoline-1,3-dione CAS Name: 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-(3-methylbutyl)isoindole-1,3-dione IUPAC Name: 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-(3-methylbutyl)isoindole-1,3-dione Traditional Name: 5-(6-bromo-4-keto-3,1-benzoxazin-2-yl)-2-isoamyl-isoindoline-1,3-quinone Formula: C21H17BrN2O4 MolecularWeight: 441.27468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C3=NC4=C(C=C(C=C4)Br)C(=O)O3

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C3=NC4=C(C=C(C=C4)Br)C(=O)O3

InChI

InChI=1S/C21H17BrN2O4/c1-11(2)7-8-24-19(25)14-5-3-12(9-15(14)20(24)26)18-23-17-6-4-13(22)10-16(17)21(27)28-18/h3-6,9-11H,7-8H2,1-2H3