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

Systemtic Name: ethyl 2-[5-azanyl-1-(4-bromophenyl)carbonyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-amino-1-(4-bromobenzoyl)-1,2,4-triazol-3-yl]acetate CAS Name: 2-[5-amino-1-[(4-bromophenyl)-oxomethyl]-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-amino-1-(4-bromobenzoyl)-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-amino-1-(4-bromobenzoyl)-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C13H13BrN4O3 MolecularWeight: 353.17132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=N1)N)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)CC1=NN(C(=N1)N)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H13BrN4O3/c1-2-21-11(19)7-10-16-13(15)18(17-10)12(20)8-3-5-9(14)6-4-8/h3-6H,2,7H2,1H3,(H2,15,16,17)