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

Systemtic Name: (E)-3-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)-2-(2-methylfuran-3-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(2-bromo-5-hydroxy-4-methoxy-phenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-[(2-methyl-3-furanyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(2-bromo-5-hydroxy-4-methoxy-phenyl)-2-(2-methyl-3-furoyl)acrylonitrile Formula: C16H12BrNO4 MolecularWeight: 362.17478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)C(=CC2=CC(=C(C=C2Br)OC)O)C#N

Isomeric SMILES

CC1=C(C=CO1)C(=O)/C(=C/C2=CC(=C(C=C2Br)OC)O)/C#N

InChI

InChI=1S/C16H12BrNO4/c1-9-12(3-4-22-9)16(20)11(8-18)5-10-6-14(19)15(21-2)7-13(10)17/h3-7,19H,1-2H3/b11-5+