methyl 6-(3-azanylbutyl)-2,3-bis(chloranyl)benzoate

Systemtic Name: methyl 6-(3-azanylbutyl)-2,3-bis(chloranyl)benzoate Openeye Name: methyl 6-(3-aminobutyl)-2,3-dichloro-benzoate CAS Name: 6-(3-aminobutyl)-2,3-dichlorobenzoic acid methyl ester IUPAC Name: methyl 6-(3-aminobutyl)-2,3-dichlorobenzoate Traditional Name: 6-(3-aminobutyl)-2,3-dichloro-benzoic acid methyl ester Formula: C12H15Cl2NO2 MolecularWeight: 276.159

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=C(C(=C(C=C1)Cl)Cl)C(=O)OC)N

Isomeric SMILES

CC(CCC1=C(C(=C(C=C1)Cl)Cl)C(=O)OC)N

InChI

InChI=1S/C12H15Cl2NO2/c1-7(15)3-4-8-5-6-9(13)11(14)10(8)12(16)17-2/h5-7H,3-4,15H2,1-2H3