4-chloranyl-2-[2-(1,2,4-triazol-1-yl)ethanoylamino]benzoate

Systemtic Name: 4-chloranyl-2-[2-(1,2,4-triazol-1-yl)ethanoylamino]benzoate Openeye Name: 4-chloro-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoate CAS Name: 4-chloro-2-[[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]amino]benzoate IUPAC Name: 4-chloro-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoate Traditional Name: 4-chloro-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoate Formula: C11H8ClN4O3- MolecularWeight: 279.65922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)NC(=O)CN2C=NC=N2)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)NC(=O)CN2C=NC=N2)C(=O)[O-]

InChI

InChI=1S/C11H9ClN4O3/c12-7-1-2-8(11(18)19)9(3-7)15-10(17)4-16-6-13-5-14-16/h1-3,5-6H,4H2,(H,15,17)(H,18,19)/p-1