4-[(E)-[1-(3-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-[1-(3-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]benzenecarbonitrile Openeye Name: 4-[(E)-[1-(3-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]benzonitrile CAS Name: 4-[(E)-[1-(3-chlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]benzonitrile IUPAC Name: 4-[(E)-[1-(3-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]benzonitrile Traditional Name: 4-[(E)-[1-(3-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]benzonitrile Formula: C18H12ClN3O MolecularWeight: 321.76038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)C#N)C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3O/c1-12-17(9-13-5-7-14(11-20)8-6-13)18(23)22(21-12)16-4-2-3-15(19)10-16/h2-10H,1H3/b17-9+