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

Systemtic Name: 2-[3-(1,2,4-triazol-1-yl)propylcarbamoyl]benzoic acid Openeye Name: 2-[3-(1,2,4-triazol-1-yl)propylcarbamoyl]benzoic acid CAS Name: 2-[oxo-[3-(1,2,4-triazol-1-yl)propylamino]methyl]benzoic acid IUPAC Name: 2-[3-(1,2,4-triazol-1-yl)propylcarbamoyl]benzoic acid Traditional Name: 2-[3-(1,2,4-triazol-1-yl)propylcarbamoyl]benzoic acid Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCN2C=NC=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCN2C=NC=N2)C(=O)O

InChI

InChI=1S/C13H14N4O3/c18-12(10-4-1-2-5-11(10)13(19)20)15-6-3-7-17-9-14-8-16-17/h1-2,4-5,8-9H,3,6-7H2,(H,15,18)(H,19,20)