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

Systemtic Name: 3-[(4Z)-3-methyl-4-[(4-methylphenyl)methylidene]-5-oxidanylidene-pyrazol-1-yl]propanenitrile Openeye Name: 3-[(4Z)-3-methyl-5-oxo-4-(p-tolylmethylene)pyrazol-1-yl]propanenitrile CAS Name: 3-[(4Z)-3-methyl-4-[(4-methylphenyl)methylidene]-5-oxo-1-pyrazolyl]propanenitrile IUPAC Name: 3-[(4Z)-3-methyl-4-[(4-methylphenyl)methylidene]-5-oxopyrazol-1-yl]propanenitrile Traditional Name: 3-[(4Z)-5-keto-3-methyl-4-(4-methylbenzylidene)-2-pyrazolin-1-yl]propionitrile Formula: C15H15N3O MolecularWeight: 253.2991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C2C(=NN(C2=O)CCC#N)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C\2/C(=NN(C2=O)CCC#N)C

InChI

InChI=1S/C15H15N3O/c1-11-4-6-13(7-5-11)10-14-12(2)17-18(15(14)19)9-3-8-16/h4-7,10H,3,9H2,1-2H3/b14-10-