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

Systemtic Name: methyl 4-[2-(3-iodanyl-1,2,4-triazol-1-yl)ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C12H11IN4O3 MolecularWeight: 386.14521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11IN4O3/c1-20-11(19)8-2-4-9(5-3-8)15-10(18)6-17-7-14-12(13)16-17/h2-5,7H,6H2,1H3,(H,15,18)