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

Systemtic Name: 2-(3-methylbutyl)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione Openeye Name: 2-isopentyl-5-(4-oxo-3,1-benzoxazin-2-yl)isoindoline-1,3-dione CAS Name: 2-(3-methylbutyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione IUPAC Name: 2-(3-methylbutyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione Traditional Name: 2-isoamyl-5-(4-keto-3,1-benzoxazin-2-yl)isoindoline-1,3-quinone Formula: C21H18N2O4 MolecularWeight: 362.37862

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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=CC=C4C(=O)O3

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4/c1-12(2)9-10-23-19(24)14-8-7-13(11-16(14)20(23)25)18-22-17-6-4-3-5-15(17)21(26)27-18/h3-8,11-12H,9-10H2,1-2H3