(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-(3-methylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-(3-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(3-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[(3-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(3-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-m-toluoyl-acrylonitrile Formula: C18H14BrNO3 MolecularWeight: 372.21266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C(=CC2=CC(=C(C(=C2)Br)O)OC)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)/C(=C/C2=CC(=C(C(=C2)Br)O)OC)/C#N

InChI

InChI=1S/C18H14BrNO3/c1-11-4-3-5-13(6-11)17(21)14(10-20)7-12-8-15(19)18(22)16(9-12)23-2/h3-9,22H,1-2H3/b14-7+