5-[3-azanyl-1-(5-methyl-1,2-oxazol-3-yl)propyl]-4-chloranyl-3-fluoranyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile

Systemtic Name: 5-[3-azanyl-1-(5-methyl-1,2-oxazol-3-yl)propyl]-4-chloranyl-3-fluoranyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile Openeye Name: 5-[3-amino-1-(5-methylisoxazol-3-yl)propyl]-4-chloro-3-fluoro-6-oxo-cyclohexa-1,3-diene-1-carbonitrile CAS Name: 5-[3-amino-1-(5-methyl-3-isoxazolyl)propyl]-4-chloro-3-fluoro-6-oxo-1-cyclohexa-1,3-dienecarbonitrile IUPAC Name: 5-[3-amino-1-(5-methyl-1,2-oxazol-3-yl)propyl]-4-chloro-3-fluoro-6-oxocyclohexa-1,3-diene-1-carbonitrile Traditional Name: 5-[3-amino-1-(5-methylisoxazol-3-yl)propyl]-4-chloro-3-fluoro-6-keto-cyclohexa-1,3-diene-1-carbonitrile Formula: C14H13ClFN3O2 MolecularWeight: 309.723323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(CCN)C2C(=C(C=C(C2=O)C#N)F)Cl

Isomeric SMILES

CC1=CC(=NO1)C(CCN)C2C(=C(C=C(C2=O)C#N)F)Cl

InChI

InChI=1S/C14H13ClFN3O2/c1-7-4-11(19-21-7)9(2-3-17)12-13(15)10(16)5-8(6-18)14(12)20/h4-5,9,12H,2-3,17H2,1H3