methyl 4-(5-bromanylpentoxy)-5-methoxy-2-nitro-benzoate

Systemtic Name: methyl 4-(5-bromanylpentoxy)-5-methoxy-2-nitro-benzoate Openeye Name: methyl 4-(5-bromopentoxy)-5-methoxy-2-nitro-benzoate CAS Name: 4-(5-bromopentoxy)-5-methoxy-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(5-bromopentoxy)-5-methoxy-2-nitrobenzoate Traditional Name: 4-(5-bromopentoxy)-5-methoxy-2-nitro-benzoic acid methyl ester Formula: C14H18BrNO6 MolecularWeight: 376.19982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO6/c1-20-12-8-10(14(17)21-2)11(16(18)19)9-13(12)22-7-5-3-4-6-15/h8-9H,3-7H2,1-2H3