5-(4-butyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(4-butyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione Openeye Name: 5-(4-butyl-3-oxo-1,4-benzoxazin-6-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione CAS Name: 5-(4-butyl-3-oxo-1,4-benzoxazin-6-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione IUPAC Name: 5-(4-butyl-3-oxo-1,4-benzoxazin-6-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione Traditional Name: 5-(4-butyl-3-keto-1,4-benzoxazin-6-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-quinone Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)COC2=C1C=C(C=C2)C3CC(=O)C(=C(CC)O)C(=O)C3

Isomeric SMILES

CCCCN1C(=O)COC2=C1C=C(C=C2)C3CC(=O)C(=C(CC)O)C(=O)C3

InChI

InChI=1S/C21H25NO5/c1-3-5-8-22-15-9-13(6-7-19(15)27-12-20(22)26)14-10-17(24)21(16(23)4-2)18(25)11-14/h6-7,9,14,23H,3-5,8,10-12H2,1-2H3