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

Systemtic Name: methyl 4-(4-chloranylbutoxy)-5-methoxy-2-nitro-benzoate Openeye Name: methyl 4-(4-chlorobutoxy)-5-methoxy-2-nitro-benzoate CAS Name: 4-(4-chlorobutoxy)-5-methoxy-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(4-chlorobutoxy)-5-methoxy-2-nitrobenzoate Traditional Name: 4-(4-chlorobutoxy)-5-methoxy-2-nitro-benzoic acid methyl ester Formula: C13H16ClNO6 MolecularWeight: 317.72224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO6/c1-19-11-7-9(13(16)20-2)10(15(17)18)8-12(11)21-6-4-3-5-14/h7-8H,3-6H2,1-2H3