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

Systemtic Name: (2-cyanophenyl)methyl 3-bromanyl-4-ethoxy-5-methoxy-benzoate Openeye Name: (2-cyanophenyl)methyl 3-bromo-4-ethoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-ethoxy-5-methoxybenzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 3-bromo-4-ethoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-ethoxy-5-methoxy-benzoic acid (2-cyanobenzyl) ester Formula: C18H16BrNO4 MolecularWeight: 390.22794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)OCC2=CC=CC=C2C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)OCC2=CC=CC=C2C#N)OC

InChI

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