4-[(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enoyl]benzonitrile CAS Name: 4-[(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-oxoprop-2-enyl]benzonitrile IUPAC Name: 4-[(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoyl]benzonitrile Traditional Name: 4-[(E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)acryloyl]benzonitrile Formula: C17H12BrNO3 MolecularWeight: 358.18608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrNO3/c1-22-16-9-12(8-14(18)17(16)21)4-7-15(20)13-5-2-11(10-19)3-6-13/h2-9,21H,1H3/b7-4+