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

Systemtic Name: (E)-3-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-2-(2-methylfuran-3-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-5-ethoxy-4-methoxy-phenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-[(2-methyl-3-furanyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-5-ethoxy-4-methoxy-phenyl)-2-(2-methyl-3-furoyl)acrylonitrile Formula: C18H16BrNO4 MolecularWeight: 390.22794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)C2=C(OC=C2)C)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)C2=C(OC=C2)C)Br)OC

InChI

InChI=1S/C18H16BrNO4/c1-4-23-16-9-12(8-15(19)18(16)22-3)7-13(10-20)17(21)14-5-6-24-11(14)2/h5-9H,4H2,1-3H3/b13-7+