4-[2-(5-chloranyl-2-oxidanylidene-pyrimidin-1-yl)ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-(5-chloranyl-2-oxidanylidene-pyrimidin-1-yl)ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-(5-chloro-2-oxo-pyrimidin-1-yl)acetyl]benzonitrile CAS Name: 4-[2-(5-chloro-2-oxo-1-pyrimidinyl)-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-(5-chloro-2-oxopyrimidin-1-yl)acetyl]benzonitrile Traditional Name: 4-[2-(5-chloro-2-keto-pyrimidin-1-yl)acetyl]benzonitrile Formula: C13H8ClN3O2 MolecularWeight: 273.67452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)CN2C=C(C=NC2=O)Cl

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)CN2C=C(C=NC2=O)Cl

InChI

InChI=1S/C13H8ClN3O2/c14-11-6-16-13(19)17(7-11)8-12(18)10-3-1-9(5-15)2-4-10/h1-4,6-7H,8H2