methyl 4-azanyl-3-[[2,2,2-tris(chloranyl)-1-oxidanyl-ethyl]carbamoyl]benzoate

Systemtic Name: methyl 4-azanyl-3-[[2,2,2-tris(chloranyl)-1-oxidanyl-ethyl]carbamoyl]benzoate Openeye Name: methyl 4-amino-3-[(2,2,2-trichloro-1-hydroxy-ethyl)carbamoyl]benzoate CAS Name: 4-amino-3-[oxo-[(2,2,2-trichloro-1-hydroxyethyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-amino-3-[(2,2,2-trichloro-1-hydroxyethyl)carbamoyl]benzoate Traditional Name: 4-amino-3-[(2,2,2-trichloro-1-hydroxy-ethyl)carbamoyl]benzoic acid methyl ester Formula: C11H11Cl3N2O4 MolecularWeight: 341.57504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N)C(=O)NC(C(Cl)(Cl)Cl)O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N)C(=O)NC(C(Cl)(Cl)Cl)O

InChI

InChI=1S/C11H11Cl3N2O4/c1-20-9(18)5-2-3-7(15)6(4-5)8(17)16-10(19)11(12,13)14/h2-4,10,19H,15H2,1H3,(H,16,17)