(E)-3-(3-bromanyl-4,5-diethoxy-phenyl)-2-pyrrolidin-1-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-4,5-diethoxy-phenyl)-2-pyrrolidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-4,5-diethoxy-phenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-4,5-diethoxyphenyl)-2-[oxo(1-pyrrolidinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-4,5-diethoxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-4,5-diethoxy-phenyl)-2-(pyrrolidine-1-carbonyl)acrylonitrile Formula: C18H21BrN2O3 MolecularWeight: 393.27494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)N2CCCC2)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)N2CCCC2)Br)OCC

InChI

InChI=1S/C18H21BrN2O3/c1-3-23-16-11-13(10-15(19)17(16)24-4-2)9-14(12-20)18(22)21-7-5-6-8-21/h9-11H,3-8H2,1-2H3/b14-9+