(4-cyanophenyl)methyl 3-bromanyl-5-ethoxy-4-methoxy-benzoate

Systemtic Name: (4-cyanophenyl)methyl 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: (4-cyanophenyl)methyl 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid (4-cyanobenzyl) ester Formula: C18H16BrNO4 MolecularWeight: 390.22794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OCC2=CC=C(C=C2)C#N)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)OCC2=CC=C(C=C2)C#N)Br)OC

InChI

InChI=1S/C18H16BrNO4/c1-3-23-16-9-14(8-15(19)17(16)22-2)18(21)24-11-13-6-4-12(10-20)5-7-13/h4-9H,3,11H2,1-2H3