2-[2-[4-(1,3-benzoxazol-2-yl)-2-oxidanyl-phenoxy]propanoyl]cyclopentane-1,3-dione

Systemtic Name: 2-[2-[4-(1,3-benzoxazol-2-yl)-2-oxidanyl-phenoxy]propanoyl]cyclopentane-1,3-dione Openeye Name: 2-[2-[4-(1,3-benzoxazol-2-yl)-2-hydroxy-phenoxy]propanoyl]cyclopentane-1,3-dione CAS Name: 2-[2-[4-(1,3-benzoxazol-2-yl)-2-hydroxyphenoxy]-1-oxopropyl]cyclopentane-1,3-dione IUPAC Name: 2-[2-[4-(1,3-benzoxazol-2-yl)-2-hydroxyphenoxy]propanoyl]cyclopentane-1,3-dione Traditional Name: 2-[2-[4-(1,3-benzoxazol-2-yl)-2-hydroxy-phenoxy]propanoyl]cyclopentane-1,3-quinone Formula: C21H17NO6 MolecularWeight: 379.36278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1C(=O)CCC1=O)OC2=C(C=C(C=C2)C3=NC4=CC=CC=C4O3)O

Isomeric SMILES

CC(C(=O)C1C(=O)CCC1=O)OC2=C(C=C(C=C2)C3=NC4=CC=CC=C4O3)O

InChI

InChI=1S/C21H17NO6/c1-11(20(26)19-14(23)7-8-15(19)24)27-18-9-6-12(10-16(18)25)21-22-13-4-2-3-5-17(13)28-21/h2-6,9-11,19,25H,7-8H2,1H3