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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)OCC2=CC=C(C=C2)C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)OCC2=CC=C(C=C2)C#N)OC

InChI

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