3-[3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-morpholin-4-ylcarbonyl-prop-2-enenitrile

Systemtic Name: 3-[3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-morpholin-4-ylcarbonyl-prop-2-enenitrile Openeye Name: 3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(morpholine-4-carbonyl)prop-2-enenitrile CAS Name: 3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-[4-morpholinyl(oxo)methyl]-2-propenenitrile IUPAC Name: 3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(morpholine-4-carbonyl)prop-2-enenitrile Traditional Name: 3-[3-bromo-4-(2,4-dichlorobenzyl)oxy-phenyl]-2-(morpholine-4-carbonyl)acrylonitrile Formula: C21H17BrCl2N2O3 MolecularWeight: 496.18128

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=C(C=C(C=C3)Cl)Cl)Br)C#N

Isomeric SMILES

C1COCCN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=C(C=C(C=C3)Cl)Cl)Br)C#N

InChI

InChI=1S/C21H17BrCl2N2O3/c22-18-10-14(9-16(12-25)21(27)26-5-7-28-8-6-26)1-4-20(18)29-13-15-2-3-17(23)11-19(15)24/h1-4,9-11H,5-8,13H2