methyl 2-(chloranylamino)-3-[4-(2-phenylethynyl)phenyl]propanoate

Systemtic Name: methyl 2-(chloranylamino)-3-[4-(2-phenylethynyl)phenyl]propanoate Openeye Name: methyl 2-(chloroamino)-3-[4-(2-phenylethynyl)phenyl]propanoate CAS Name: 2-(chloroamino)-3-[4-(2-phenylethynyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-(chloroamino)-3-[4-(2-phenylethynyl)phenyl]propanoate Traditional Name: 2-(chloroamino)-3-[4-(2-phenylethynyl)phenyl]propionic acid methyl ester Formula: C18H16ClNO2 MolecularWeight: 313.77814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)C#CC2=CC=CC=C2)NCl

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)C#CC2=CC=CC=C2)NCl

InChI

InChI=1S/C18H16ClNO2/c1-22-18(21)17(20-19)13-16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12,17,20H,13H2,1H3