2-butyl-5-(5-methyl-1,3-benzoxazol-2-yl)isoindole-1,3-dione

Systemtic Name: 2-butyl-5-(5-methyl-1,3-benzoxazol-2-yl)isoindole-1,3-dione Openeye Name: 2-butyl-5-(5-methyl-1,3-benzoxazol-2-yl)isoindoline-1,3-dione CAS Name: 2-butyl-5-(5-methyl-1,3-benzoxazol-2-yl)isoindole-1,3-dione IUPAC Name: 2-butyl-5-(5-methyl-1,3-benzoxazol-2-yl)isoindole-1,3-dione Traditional Name: 2-butyl-5-(5-methyl-1,3-benzoxazol-2-yl)isoindoline-1,3-quinone Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C

InChI

InChI=1S/C20H18N2O3/c1-3-4-9-22-19(23)14-7-6-13(11-15(14)20(22)24)18-21-16-10-12(2)5-8-17(16)25-18/h5-8,10-11H,3-4,9H2,1-2H3