methyl 2-acetamido-5-bromanyl-3-chloranyl-benzoate

Systemtic Name: methyl 2-acetamido-5-bromanyl-3-chloranyl-benzoate Openeye Name: methyl 2-acetamido-5-bromo-3-chloro-benzoate CAS Name: 2-acetamido-5-bromo-3-chlorobenzoic acid methyl ester IUPAC Name: methyl 2-acetamido-5-bromo-3-chlorobenzoate Traditional Name: 2-acetamido-5-bromo-3-chloro-benzoic acid methyl ester Formula: C10H9BrClNO3 MolecularWeight: 318.495612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1C(=O)OC)Br)Cl

Isomeric SMILES

CC(=O)N[14C]1=[14C]([14CH]=[14C]([14CH]=[14C]1C(=O)OC)Br)Cl

InChI

InChI=1S/C10H9BrClNO3/c1-5(14)13-9-7(10(15)16-2)3-6(11)4-8(9)12/h3-4H,1-2H3,(H,13,14)/i3+2,4+2,6+2,7+2,8+2,9+2