4-(3-bromanylpropoxy)-5-methoxy-2-nitro-benzoate

Systemtic Name: 4-(3-bromanylpropoxy)-5-methoxy-2-nitro-benzoate Openeye Name: 4-(3-bromopropoxy)-5-methoxy-2-nitro-benzoate CAS Name: 4-(3-bromopropoxy)-5-methoxy-2-nitrobenzoate IUPAC Name: 4-(3-bromopropoxy)-5-methoxy-2-nitrobenzoate Traditional Name: 4-(3-bromopropoxy)-5-methoxy-2-nitro-benzoate Formula: C11H11BrNO6- MolecularWeight: 333.11214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12BrNO6/c1-18-9-5-7(11(14)15)8(13(16)17)6-10(9)19-4-2-3-12/h5-6H,2-4H2,1H3,(H,14,15)/p-1