5-[3-chloranyl-1-(1,2-oxazol-3-yl)propyl]-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile

Systemtic Name: 5-[3-chloranyl-1-(1,2-oxazol-3-yl)propyl]-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile Openeye Name: 5-(3-chloro-1-isoxazol-3-yl-propyl)-6-oxo-cyclohexa-1,3-diene-1-carbonitrile CAS Name: 5-[3-chloro-1-(3-isoxazolyl)propyl]-6-oxo-1-cyclohexa-1,3-dienecarbonitrile IUPAC Name: 5-[3-chloro-1-(1,2-oxazol-3-yl)propyl]-6-oxocyclohexa-1,3-diene-1-carbonitrile Traditional Name: 5-(3-chloro-1-isoxazol-3-yl-propyl)-6-keto-cyclohexa-1,3-diene-1-carbonitrile Formula: C13H11ClN2O2 MolecularWeight: 262.69164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C(=O)C(=C1)C#N)C(CCCl)C2=NOC=C2

Isomeric SMILES

C1=CC(C(=O)C(=C1)C#N)C(CCCl)C2=NOC=C2

InChI

InChI=1S/C13H11ClN2O2/c14-6-4-10(12-5-7-18-16-12)11-3-1-2-9(8-15)13(11)17/h1-3,5,7,10-11H,4,6H2