methyl 3-bromanyl-2-(butylamino)-5-chloranyl-benzoate

Systemtic Name: methyl 3-bromanyl-2-(butylamino)-5-chloranyl-benzoate Openeye Name: methyl 3-bromo-2-(butylamino)-5-chloro-benzoate CAS Name: 3-bromo-2-(butylamino)-5-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-bromo-2-(butylamino)-5-chlorobenzoate Traditional Name: 3-bromo-2-(butylamino)-5-chloro-benzoic acid methyl ester Formula: C12H15BrClNO2 MolecularWeight: 320.61

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1C(=O)OC)Cl)Br

Isomeric SMILES

CCCCNC1=C(C=C(C=C1C(=O)OC)Cl)Br

InChI

InChI=1S/C12H15BrClNO2/c1-3-4-5-15-11-9(12(16)17-2)6-8(14)7-10(11)13/h6-7,15H,3-5H2,1-2H3