ethyl 3-(3-bromanyl-5-chloranyl-2-oxidanyl-phenyl)-3-[2-(chloranylamino)ethanoylamino]propanoate

Systemtic Name: ethyl 3-(3-bromanyl-5-chloranyl-2-oxidanyl-phenyl)-3-[2-(chloranylamino)ethanoylamino]propanoate Openeye Name: ethyl 3-(3-bromo-5-chloro-2-hydroxy-phenyl)-3-[[2-(chloroamino)acetyl]amino]propanoate CAS Name: 3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[[2-(chloroamino)-1-oxoethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[[2-(chloroamino)acetyl]amino]propanoate Traditional Name: 3-(3-bromo-5-chloro-2-hydroxy-phenyl)-3-[[2-(chloroamino)acetyl]amino]propionic acid ethyl ester Formula: C13H15BrCl2N2O4 MolecularWeight: 414.0792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=CC(=C1O)Br)Cl)NC(=O)CNCl

Isomeric SMILES

CCOC(=O)CC(C1=CC(=CC(=C1O)Br)Cl)NC(=O)CNCl

InChI

InChI=1S/C13H15BrCl2N2O4/c1-2-22-12(20)5-10(18-11(19)6-17-16)8-3-7(15)4-9(14)13(8)21/h3-4,10,17,21H,2,5-6H2,1H3,(H,18,19)