7-bromanyl-3,3-dimethyl-2H-1-benzoxepine-5-carbonitrile

Systemtic Name: 7-bromanyl-3,3-dimethyl-2H-1-benzoxepine-5-carbonitrile Openeye Name: 7-bromo-3,3-dimethyl-2H-1-benzoxepine-5-carbonitrile CAS Name: 7-bromo-3,3-dimethyl-2H-1-benzoxepin-5-carbonitrile IUPAC Name: 7-bromo-3,3-dimethyl-2H-1-benzoxepine-5-carbonitrile Traditional Name: 7-bromo-3,3-dimethyl-2H-1-benzoxepin-5-carbonitrile Formula: C13H12BrNO MolecularWeight: 278.14448

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)Br)C(=C1)C#N)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)Br)C(=C1)C#N)C

InChI

InChI=1S/C13H12BrNO/c1-13(2)6-9(7-15)11-5-10(14)3-4-12(11)16-8-13/h3-6H,8H2,1-2H3