ethyl 2-[4-(4-bromophenyl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(4-bromophenyl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanoate Openeye Name: ethyl 2-[4-(4-bromophenyl)-5-oxo-1,2,4-triazol-1-yl]acetate CAS Name: 2-[4-(4-bromophenyl)-5-oxo-1,2,4-triazol-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-bromophenyl)-5-oxo-1,2,4-triazol-1-yl]acetate Traditional Name: 2-[4-(4-bromophenyl)-5-keto-1,2,4-triazol-1-yl]acetic acid ethyl ester Formula: C12H12BrN3O3 MolecularWeight: 326.14598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)N(C=N1)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)CN1C(=O)N(C=N1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H12BrN3O3/c1-2-19-11(17)7-16-12(18)15(8-14-16)10-5-3-9(13)4-6-10/h3-6,8H,2,7H2,1H3