3-[(4Z)-3-methyl-5-oxidanylidene-4-(phenylmethylidene)pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[(4Z)-3-methyl-5-oxidanylidene-4-(phenylmethylidene)pyrazol-1-yl]propanenitrile Openeye Name: 3-[(4Z)-4-benzylidene-3-methyl-5-oxo-pyrazol-1-yl]propanenitrile CAS Name: 3-[(4Z)-3-methyl-5-oxo-4-(phenylmethylene)-1-pyrazolyl]propanenitrile IUPAC Name: 3-[(4Z)-4-benzylidene-3-methyl-5-oxopyrazol-1-yl]propanenitrile Traditional Name: 3-[(4Z)-4-benzal-5-keto-3-methyl-2-pyrazolin-1-yl]propionitrile Formula: C14H13N3O MolecularWeight: 239.27252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=CC=C2)CCC#N

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=CC=C2)CCC#N

InChI

InChI=1S/C14H13N3O/c1-11-13(10-12-6-3-2-4-7-12)14(18)17(16-11)9-5-8-15/h2-4,6-7,10H,5,9H2,1H3/b13-10-