3-[4-(2-cyanoethyl)-5-oxidanylidene-3-phenyl-1,2-oxazol-4-yl]propanenitrile

Systemtic Name: 3-[4-(2-cyanoethyl)-5-oxidanylidene-3-phenyl-1,2-oxazol-4-yl]propanenitrile Openeye Name: 3-[4-(2-cyanoethyl)-5-oxo-3-phenyl-isoxazol-4-yl]propanenitrile CAS Name: 3-[4-(2-cyanoethyl)-5-oxo-3-phenyl-4-isoxazolyl]propanenitrile IUPAC Name: 3-[4-(2-cyanoethyl)-5-oxo-3-phenyl-1,2-oxazol-4-yl]propanenitrile Traditional Name: 3-[4-(2-cyanoethyl)-5-keto-3-phenyl-2-isoxazolin-4-yl]propionitrile Formula: C15H13N3O2 MolecularWeight: 267.28262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=O)C2(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=O)C2(CCC#N)CCC#N

InChI

InChI=1S/C15H13N3O2/c16-10-4-8-15(9-5-11-17)13(18-20-14(15)19)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-9H2