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

Systemtic Name: 3-bromanyl-4-(3-cyanopropoxy)-5-methoxy-benzoic acid Openeye Name: 3-bromo-4-(3-cyanopropoxy)-5-methoxy-benzoic acid CAS Name: 3-bromo-4-(3-cyanopropoxy)-5-methoxybenzoic acid IUPAC Name: 3-bromo-4-(3-cyanopropoxy)-5-methoxybenzoic acid Traditional Name: 3-bromo-4-(3-cyanopropoxy)-5-methoxy-benzoic acid Formula: C12H12BrNO4 MolecularWeight: 314.13198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)O)Br)OCCCC#N

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)O)Br)OCCCC#N

InChI

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