5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonitrile

Systemtic Name: 5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonitrile Openeye Name: 5-(3,4-dimethylphenyl)isoxazole-3-carbonitrile CAS Name: 5-(3,4-dimethylphenyl)-3-isoxazolecarbonitrile IUPAC Name: 5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonitrile Traditional Name: 5-(3,4-dimethylphenyl)isoxazole-3-carbonitrile Formula: C12H10N2O MolecularWeight: 198.2206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NO2)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NO2)C#N)C

InChI

InChI=1S/C12H10N2O/c1-8-3-4-10(5-9(8)2)12-6-11(7-13)14-15-12/h3-6H,1-2H3