3-[(E)-3-(3-bromanyl-4-methoxy-phenyl)-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 3-[(E)-3-(3-bromanyl-4-methoxy-phenyl)-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 3-[(E)-3-(3-bromo-4-methoxy-phenyl)-3-oxo-prop-1-enyl]benzonitrile CAS Name: 3-[(E)-3-(3-bromo-4-methoxyphenyl)-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 3-[(E)-3-(3-bromo-4-methoxyphenyl)-3-oxoprop-1-enyl]benzonitrile Traditional Name: 3-[(E)-3-(3-bromo-4-methoxy-phenyl)-3-keto-prop-1-enyl]benzonitrile Formula: C17H12BrNO2 MolecularWeight: 342.18668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC=CC(=C2)C#N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=CC(=C2)C#N)Br

InChI

InChI=1S/C17H12BrNO2/c1-21-17-8-6-14(10-15(17)18)16(20)7-5-12-3-2-4-13(9-12)11-19/h2-10H,1H3/b7-5+