3-[(4E)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[(4E)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]propanenitrile Openeye Name: 3-[(4E)-4-[[5-(4-chlorophenyl)-2-furyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]propanenitrile CAS Name: 3-[(4E)-4-[[5-(4-chlorophenyl)-2-furanyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]propanenitrile IUPAC Name: 3-[(4E)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]propanenitrile Traditional Name: 3-[(4E)-4-[[5-(4-chlorophenyl)-2-furyl]methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]propionitrile Formula: C18H14ClN3O2 MolecularWeight: 339.77566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC=C(C=C3)Cl)CCC#N

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=C(O2)C3=CC=C(C=C3)Cl)CCC#N

InChI

InChI=1S/C18H14ClN3O2/c1-12-16(18(23)22(21-12)10-2-9-20)11-15-7-8-17(24-15)13-3-5-14(19)6-4-13/h3-8,11H,2,10H2,1H3/b16-11+