cyanomethyl 3-bromanyl-5-ethoxy-4-methoxy-benzoate

Systemtic Name: cyanomethyl 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: cyanomethyl 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid cyanomethyl ester Formula: C12H12BrNO4 MolecularWeight: 314.13198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrNO4/c1-3-17-10-7-8(12(15)18-5-4-14)6-9(13)11(10)16-2/h6-7H,3,5H2,1-2H3