5-(6,7-dimethoxy-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(3-methylbutyl)isoindole-1,3-dione

Systemtic Name: 5-(6,7-dimethoxy-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(3-methylbutyl)isoindole-1,3-dione Openeye Name: 5-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)-2-isopentyl-isoindoline-1,3-dione CAS Name: 5-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)-2-(3-methylbutyl)isoindole-1,3-dione IUPAC Name: 5-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)-2-(3-methylbutyl)isoindole-1,3-dione Traditional Name: 2-isoamyl-5-(4-keto-6,7-dimethoxy-3,1-benzoxazin-2-yl)isoindoline-1,3-quinone Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C3=NC4=CC(=C(C=C4C(=O)O3)OC)OC

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C3=NC4=CC(=C(C=C4C(=O)O3)OC)OC

InChI

InChI=1S/C23H22N2O6/c1-12(2)7-8-25-21(26)14-6-5-13(9-15(14)22(25)27)20-24-17-11-19(30-4)18(29-3)10-16(17)23(28)31-20/h5-6,9-12H,7-8H2,1-4H3