3-cyanopropyl 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: 3-cyanopropyl 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: 3-cyanopropyl 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid 3-cyanopropyl ester Formula: C13H14BrNO4 MolecularWeight: 328.15856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)OCCCC#N

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)OCCCC#N

InChI

InChI=1S/C13H14BrNO4/c1-17-10-7-9(8-11(18-2)12(10)14)13(16)19-6-4-3-5-15/h7-8H,3-4,6H2,1-2H3