3-bromanyl-4-(3-cyanopropoxy)-5-ethoxy-benzoic acid

Systemtic Name: 3-bromanyl-4-(3-cyanopropoxy)-5-ethoxy-benzoic acid Openeye Name: 3-bromo-4-(3-cyanopropoxy)-5-ethoxy-benzoic acid CAS Name: 3-bromo-4-(3-cyanopropoxy)-5-ethoxybenzoic acid IUPAC Name: 3-bromo-4-(3-cyanopropoxy)-5-ethoxybenzoic acid Traditional Name: 3-bromo-4-(3-cyanopropoxy)-5-ethoxy-benzoic acid Formula: C13H14BrNO4 MolecularWeight: 328.15856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)O)Br)OCCCC#N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)O)Br)OCCCC#N

InChI

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