2-[2-(3-chloranylphenoxy)cyclohexa-2,4-dien-1-yl]pyrimidine-5-carbonitrile

Systemtic Name: 2-[2-(3-chloranylphenoxy)cyclohexa-2,4-dien-1-yl]pyrimidine-5-carbonitrile Openeye Name: 2-[2-(3-chlorophenoxy)cyclohexa-2,4-dien-1-yl]pyrimidine-5-carbonitrile CAS Name: 2-[2-(3-chlorophenoxy)-1-cyclohexa-2,4-dienyl]-5-pyrimidinecarbonitrile IUPAC Name: 2-[2-(3-chlorophenoxy)cyclohexa-2,4-dien-1-yl]pyrimidine-5-carbonitrile Traditional Name: 2-[2-(3-chlorophenoxy)cyclohexa-2,4-dien-1-yl]pyrimidine-5-carbonitrile Formula: C17H12ClN3O MolecularWeight: 309.74968

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C(C1C2=NC=C(C=N2)C#N)OC3=CC(=CC=C3)Cl

Isomeric SMILES

C1C=CC=C(C1C2=NC=C(C=N2)C#N)OC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H12ClN3O/c18-13-4-3-5-14(8-13)22-16-7-2-1-6-15(16)17-20-10-12(9-19)11-21-17/h1-5,7-8,10-11,15H,6H2