ethyl 3-bromanyl-4-[2-(1,2,4-triazol-1-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 3-bromanyl-4-[2-(1,2,4-triazol-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 3-bromo-4-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoate CAS Name: 3-bromo-4-[[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoate Traditional Name: 3-bromo-4-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C13H13BrN4O3 MolecularWeight: 353.17132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN2C=NC=N2)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN2C=NC=N2)Br

InChI

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