4-[[(E)-[3-(3,4-dimethoxyphenyl)-5-oxidanylidene-1H-pyrazol-4-ylidene]methyl]amino]benzenecarbonitrile

Systemtic Name: 4-[[(E)-[3-(3,4-dimethoxyphenyl)-5-oxidanylidene-1H-pyrazol-4-ylidene]methyl]amino]benzenecarbonitrile Openeye Name: 4-[[(E)-[3-(3,4-dimethoxyphenyl)-5-oxo-1H-pyrazol-4-ylidene]methyl]amino]benzonitrile CAS Name: 4-[[(E)-[3-(3,4-dimethoxyphenyl)-5-oxo-1H-pyrazol-4-ylidene]methyl]amino]benzonitrile IUPAC Name: 4-[[(E)-[3-(3,4-dimethoxyphenyl)-5-oxo-1H-pyrazol-4-ylidene]methyl]amino]benzonitrile Traditional Name: 4-[[(E)-[3-(3,4-dimethoxyphenyl)-5-keto-2-pyrazolin-4-ylidene]methyl]amino]benzonitrile Formula: C19H16N4O3 MolecularWeight: 348.35534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NNC(=O)C2=CNC3=CC=C(C=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C\2=NNC(=O)/C2=C/NC3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C19H16N4O3/c1-25-16-8-5-13(9-17(16)26-2)18-15(19(24)23-22-18)11-21-14-6-3-12(10-20)4-7-14/h3-9,11,21H,1-2H3,(H,23,24)/b15-11+