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

Systemtic Name: ethyl 4-[2-(3-iodanyl-1,2,4-triazol-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(3-iodo-1,2,4-triazol-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(3-iodo-1,2,4-triazol-1-yl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-iodo-1,2,4-triazol-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-iodo-1,2,4-triazol-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C13H13IN4O3 MolecularWeight: 400.17179

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13IN4O3/c1-2-21-12(20)9-3-5-10(6-4-9)16-11(19)7-18-8-15-13(14)17-18/h3-6,8H,2,7H2,1H3,(H,16,19)