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

Systemtic Name: (E)-3-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-2-(2-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-5-ethoxy-4-methoxy-phenyl)-2-(2-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-[(2-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-(2-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-5-ethoxy-4-methoxy-phenyl)-2-o-toluoyl-acrylonitrile Formula: C20H18BrNO3 MolecularWeight: 400.26582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)C2=CC=CC=C2C)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)C2=CC=CC=C2C)Br)OC

InChI

InChI=1S/C20H18BrNO3/c1-4-25-18-11-14(10-17(21)20(18)24-3)9-15(12-22)19(23)16-8-6-5-7-13(16)2/h5-11H,4H2,1-3H3/b15-9+