4-chloranyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid Openeye Name: 4-chloro-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid CAS Name: 4-chloro-2-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid Traditional Name: 4-chloro-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid Formula: C12H11ClN4O3 MolecularWeight: 294.69374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)C(=O)O)N2C=NC=N2

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)Cl)C(=O)O)N2C=NC=N2

InChI

InChI=1S/C12H11ClN4O3/c1-7(17-6-14-5-15-17)11(18)16-10-4-8(13)2-3-9(10)12(19)20/h2-7H,1H3,(H,16,18)(H,19,20)