2-(1-oxidanylbutylidene)-5-(3-propan-2-yl-1,2-oxazol-5-yl)cyclohexane-1,3-dione

Systemtic Name: 2-(1-oxidanylbutylidene)-5-(3-propan-2-yl-1,2-oxazol-5-yl)cyclohexane-1,3-dione Openeye Name: 2-(1-hydroxybutylidene)-5-(3-isopropylisoxazol-5-yl)cyclohexane-1,3-dione CAS Name: 2-(1-hydroxybutylidene)-5-(3-propan-2-yl-5-isoxazolyl)cyclohexane-1,3-dione IUPAC Name: 2-(1-hydroxybutylidene)-5-(3-propan-2-yl-1,2-oxazol-5-yl)cyclohexane-1,3-dione Traditional Name: 2-(1-hydroxybutylidene)-5-(3-isopropylisoxazol-5-yl)cyclohexane-1,3-quinone Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)C2=CC(=NO2)C(C)C)O

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)C2=CC(=NO2)C(C)C)O

InChI

InChI=1S/C16H21NO4/c1-4-5-12(18)16-13(19)6-10(7-14(16)20)15-8-11(9(2)3)17-21-15/h8-10,18H,4-7H2,1-3H3