4-(4-bromanylbutoxy)-5-methoxy-2-nitro-benzoic acid

Systemtic Name: 4-(4-bromanylbutoxy)-5-methoxy-2-nitro-benzoic acid Openeye Name: 4-(4-bromobutoxy)-5-methoxy-2-nitro-benzoic acid CAS Name: 4-(4-bromobutoxy)-5-methoxy-2-nitrobenzoic acid IUPAC Name: 4-(4-bromobutoxy)-5-methoxy-2-nitrobenzoic acid Traditional Name: 4-(4-bromobutoxy)-5-methoxy-2-nitro-benzoic acid Formula: C12H14BrNO6 MolecularWeight: 348.14666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCCCCBr

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCCCCBr

InChI

InChI=1S/C12H14BrNO6/c1-19-10-6-8(12(15)16)9(14(17)18)7-11(10)20-5-3-2-4-13/h6-7H,2-5H2,1H3,(H,15,16)