ethyl 2-[4-(4-bromophenyl)-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(4-bromophenyl)-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]ethanoate Openeye Name: ethyl 2-[4-(4-bromophenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetate CAS Name: 2-[4-(4-bromophenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-bromophenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetate Traditional Name: 2-[4-(4-bromophenyl)-5-keto-3-methyl-1,2,4-triazol-1-yl]acetic acid ethyl ester Formula: C13H14BrN3O3 MolecularWeight: 340.17256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrN3O3/c1-3-20-12(18)8-16-13(19)17(9(2)15-16)11-6-4-10(14)5-7-11/h4-7H,3,8H2,1-2H3