2-methyl-3-(1,2-oxazol-3-yl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 2-methyl-3-(1,2-oxazol-3-yl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 4-hydroxy-3-isoxazol-3-yl-2-methyl-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 4-hydroxy-3-(3-isoxazolyl)-2-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 4-hydroxy-2-methyl-3-(1,2-oxazol-3-yl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 4-hydroxy-3-isoxazol-3-yl-2-methyl-5,6,8,8a-tetrahydrochromen-7-one Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)CC2O1)O)C3=NOC=C3

Isomeric SMILES

CC1=C(C(=C2CCC(=O)CC2O1)O)C3=NOC=C3

InChI

InChI=1S/C13H13NO4/c1-7-12(10-4-5-17-14-10)13(16)9-3-2-8(15)6-11(9)18-7/h4-5,11,16H,2-3,6H2,1H3