4-chloranyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid Openeye Name: 4-chloro-2-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid CAS Name: 4-chloro-2-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid Traditional Name: 4-chloro-2-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid Formula: C12H11ClN4O3 MolecularWeight: 294.69374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)NC(=O)CCN2C=NC=N2)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)NC(=O)CCN2C=NC=N2)C(=O)O

InChI

InChI=1S/C12H11ClN4O3/c13-8-1-2-9(12(19)20)10(5-8)16-11(18)3-4-17-7-14-6-15-17/h1-2,5-7H,3-4H2,(H,16,18)(H,19,20)