methyl 3-[3-azanyl-2,4,6-tris(chloranyl)phenyl]pentanoate

Systemtic Name: methyl 3-[3-azanyl-2,4,6-tris(chloranyl)phenyl]pentanoate Openeye Name: methyl 3-(3-amino-2,4,6-trichloro-phenyl)pentanoate CAS Name: 3-(3-amino-2,4,6-trichlorophenyl)pentanoic acid methyl ester IUPAC Name: methyl 3-(3-amino-2,4,6-trichlorophenyl)pentanoate Traditional Name: 3-(3-amino-2,4,6-trichloro-phenyl)valeric acid methyl ester Formula: C12H14Cl3NO2 MolecularWeight: 310.60406

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)OC)C1=C(C(=C(C=C1Cl)Cl)N)Cl

Isomeric SMILES

CCC(CC(=O)OC)C1=C(C(=C(C=C1Cl)Cl)N)Cl

InChI

InChI=1S/C12H14Cl3NO2/c1-3-6(4-9(17)18-2)10-7(13)5-8(14)12(16)11(10)15/h5-6H,3-4,16H2,1-2H3