3-[(E)-(7-bromanyl-5-oxidanylidene-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]benzenecarbonitrile

Systemtic Name: 3-[(E)-(7-bromanyl-5-oxidanylidene-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]benzenecarbonitrile Openeye Name: 3-[(E)-(7-bromo-5-oxo-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]benzonitrile CAS Name: 3-[(E)-(7-bromo-5-oxo-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]benzonitrile IUPAC Name: 3-[(E)-(7-bromo-5-oxo-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]benzonitrile Traditional Name: 3-[(E)-(7-bromo-5-keto-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]benzonitrile Formula: C18H12BrNO2 MolecularWeight: 354.19738

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)Br)C(=O)C1=CC3=CC=CC(=C3)C#N

Isomeric SMILES

C\1COC2=C(C=C(C=C2)Br)C(=O)/C1=C/C3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H12BrNO2/c19-15-4-5-17-16(10-15)18(21)14(6-7-22-17)9-12-2-1-3-13(8-12)11-20/h1-5,8-10H,6-7H2/b14-9+