(4S,5R)-4-(3-methyl-1,2-oxazol-5-yl)-5-phenyl-cyclohexane-1,3-dione

Systemtic Name: (4S,5R)-4-(3-methyl-1,2-oxazol-5-yl)-5-phenyl-cyclohexane-1,3-dione Openeye Name: (4S,5R)-4-(3-methylisoxazol-5-yl)-5-phenyl-cyclohexane-1,3-dione CAS Name: (4S,5R)-4-(3-methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione IUPAC Name: (4S,5R)-4-(3-methyl-1,2-oxazol-5-yl)-5-phenylcyclohexane-1,3-dione Traditional Name: (4S,5R)-4-(3-methylisoxazol-5-yl)-5-phenyl-cyclohexane-1,3-quinone Formula: C16H15NO3 MolecularWeight: 269.2952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C2C(CC(=O)CC2=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NOC(=C1)[C@@H]2[C@@H](CC(=O)CC2=O)C3=CC=CC=C3

InChI

InChI=1S/C16H15NO3/c1-10-7-15(20-17-10)16-13(8-12(18)9-14(16)19)11-5-3-2-4-6-11/h2-7,13,16H,8-9H2,1H3/t13-,16+/m0/s1