methyl 2-(4-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanoate

Systemtic Name: methyl 2-(4-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanoate Openeye Name: methyl 2-(4-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanoate CAS Name: 2-(4-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanoic acid methyl ester IUPAC Name: methyl 2-(4-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanoate Traditional Name: 2-(4-chlorophenyl)-3-(1,2,4-triazol-1-yl)propionic acid methyl ester Formula: C12H12ClN3O2 MolecularWeight: 265.69558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CN1C=NC=N1)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C(CN1C=NC=N1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H12ClN3O2/c1-18-12(17)11(6-16-8-14-7-15-16)9-2-4-10(13)5-3-9/h2-5,7-8,11H,6H2,1H3