(E)-3-[3-bromanyl-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-piperidin-1-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[3-bromanyl-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-piperidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-(piperidine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-[oxo(1-piperidinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-(piperidine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[3-bromo-5-methoxy-4-(4-nitrobenzyl)oxy-phenyl]-2-(piperidine-1-carbonyl)acrylonitrile Formula: C23H22BrN3O5 MolecularWeight: 500.34188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)N2CCCCC2)Br)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)N2CCCCC2)Br)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H22BrN3O5/c1-31-21-13-17(11-18(14-25)23(28)26-9-3-2-4-10-26)12-20(24)22(21)32-15-16-5-7-19(8-6-16)27(29)30/h5-8,11-13H,2-4,9-10,15H2,1H3/b18-11+