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

Systemtic Name: methyl 4-(3-bromanylpropoxy)-5-methoxy-2-nitro-benzoate Openeye Name: methyl 4-(3-bromopropoxy)-5-methoxy-2-nitro-benzoate CAS Name: 4-(3-bromopropoxy)-5-methoxy-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(3-bromopropoxy)-5-methoxy-2-nitrobenzoate Traditional Name: 4-(3-bromopropoxy)-5-methoxy-2-nitro-benzoic acid methyl ester Formula: C12H14BrNO6 MolecularWeight: 348.14666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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