1,3-benzoxazole; 3-oxidanylidene-3-phenyl-propanenitrile

Systemtic Name: 1,3-benzoxazole; 3-oxidanylidene-3-phenyl-propanenitrile Openeye Name: 1,3-benzoxazole; 3-oxo-3-phenyl-propanenitrile CAS Name: 1,3-benzoxazole; 3-oxo-3-phenylpropanenitrile IUPAC Name: 1,3-benzoxazole; 3-oxo-3-phenylpropanenitrile Traditional Name: 1,3-benzoxazole; 3-keto-3-phenyl-propionitrile Formula: C16H12N2O2 MolecularWeight: 264.27868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC#N.C1=CC=C2C(=C1)N=CO2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC#N.C1=CC=C2C(=C1)N=CO2

InChI

InChI=1S/C9H7NO.C7H5NO/c10-7-6-9(11)8-4-2-1-3-5-8;1-2-4-7-6(3-1)8-5-9-7/h1-5H,6H2;1-5H