5-[(2Z)-2-(6-phenethyl-1H-pyrimidin-4-ylidene)ethanoyl]-1,2-oxazol-3-one

Systemtic Name: 5-[(2Z)-2-(6-phenethyl-1H-pyrimidin-4-ylidene)ethanoyl]-1,2-oxazol-3-one Openeye Name: 5-[(2Z)-2-(6-phenethyl-1H-pyrimidin-4-ylidene)acetyl]isoxazol-3-one CAS Name: 5-[(2Z)-1-oxo-2-(6-phenethyl-1H-pyrimidin-4-ylidene)ethyl]-3-isoxazolone IUPAC Name: 5-[(2Z)-2-(6-phenethyl-1H-pyrimidin-4-ylidene)acetyl]-1,2-oxazol-3-one Traditional Name: 5-[(2Z)-2-(6-phenethyl-1H-pyrimidin-4-ylidene)acetyl]-4-isoxazolin-3-one Formula: C17H15N3O3 MolecularWeight: 309.3193

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC(=CC(=O)C3=CC(=O)NO3)N=CN2

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C/C(=C/C(=O)C3=CC(=O)NO3)/N=CN2

InChI

InChI=1S/C17H15N3O3/c21-15(16-10-17(22)20-23-16)9-14-8-13(18-11-19-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,18,19)(H,20,22)/b14-9-