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

Systemtic Name: 4-(5-bromanylpentoxy)-5-methoxy-2-nitro-benzoic acid Openeye Name: 4-(5-bromopentoxy)-5-methoxy-2-nitro-benzoic acid CAS Name: 4-(5-bromopentoxy)-5-methoxy-2-nitrobenzoic acid IUPAC Name: 4-(5-bromopentoxy)-5-methoxy-2-nitrobenzoic acid Traditional Name: 4-(5-bromopentoxy)-5-methoxy-2-nitro-benzoic acid Formula: C13H16BrNO6 MolecularWeight: 362.17324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO6/c1-20-11-7-9(13(16)17)10(15(18)19)8-12(11)21-6-4-2-3-5-14/h7-8H,2-6H2,1H3,(H,16,17)