8-chloranyl-7-fluoranyl-3,3-dimethyl-2H-1-benzoxepine-5-carbonitrile

Systemtic Name: 8-chloranyl-7-fluoranyl-3,3-dimethyl-2H-1-benzoxepine-5-carbonitrile Openeye Name: 8-chloro-7-fluoro-3,3-dimethyl-2H-1-benzoxepine-5-carbonitrile CAS Name: 8-chloro-7-fluoro-3,3-dimethyl-2H-1-benzoxepin-5-carbonitrile IUPAC Name: 8-chloro-7-fluoro-3,3-dimethyl-2H-1-benzoxepine-5-carbonitrile Traditional Name: 8-chloro-7-fluoro-3,3-dimethyl-2H-1-benzoxepin-5-carbonitrile Formula: C13H11ClFNO MolecularWeight: 251.683943

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=CC(=C(C=C2C(=C1)C#N)F)Cl)C

Isomeric SMILES

CC1(COC2=CC(=C(C=C2C(=C1)C#N)F)Cl)C

InChI

InChI=1S/C13H11ClFNO/c1-13(2)5-8(6-16)9-3-11(15)10(14)4-12(9)17-7-13/h3-5H,7H2,1-2H3