3-(3-tert-butyl-5-chloranyl-4-methanoyl-pyrazol-1-yl)propanenitrile

Systemtic Name: 3-(3-tert-butyl-5-chloranyl-4-methanoyl-pyrazol-1-yl)propanenitrile Openeye Name: 3-(3-tert-butyl-5-chloro-4-formyl-pyrazol-1-yl)propanenitrile CAS Name: 3-(3-tert-butyl-5-chloro-4-formyl-1-pyrazolyl)propanenitrile IUPAC Name: 3-(3-tert-butyl-5-chloro-4-formylpyrazol-1-yl)propanenitrile Traditional Name: 3-(3-tert-butyl-5-chloro-4-formyl-pyrazol-1-yl)propionitrile Formula: C11H14ClN3O MolecularWeight: 239.70136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1C=O)Cl)CCC#N

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1C=O)Cl)CCC#N

InChI

InChI=1S/C11H14ClN3O/c1-11(2,3)9-8(7-16)10(12)15(14-9)6-4-5-13/h7H,4,6H2,1-3H3