5-chloranyl-4-oxidanylidene-3H-1,10-phenanthroline-3-carbonitrile

Systemtic Name: 5-chloranyl-4-oxidanylidene-3H-1,10-phenanthroline-3-carbonitrile Openeye Name: 5-chloro-4-oxo-3H-1,10-phenanthroline-3-carbonitrile CAS Name: 5-chloro-4-oxo-3H-1,10-phenanthroline-3-carbonitrile IUPAC Name: 5-chloro-4-oxo-3H-1,10-phenanthroline-3-carbonitrile Traditional Name: 5-chloro-4-keto-3H-1,10-phenanthroline-3-carbonitrile Formula: C13H6ClN3O MolecularWeight: 255.65924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=C3C(=O)C(C=NC3=C2N=C1)C#N)Cl

Isomeric SMILES

C1=CC2=CC(=C3C(=O)C(C=NC3=C2N=C1)C#N)Cl

InChI

InChI=1S/C13H6ClN3O/c14-9-4-7-2-1-3-16-11(7)12-10(9)13(18)8(5-15)6-17-12/h1-4,6,8H