[2-(2-phenoxyethanoylamino)-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid

Systemtic Name: [2-(2-phenoxyethanoylamino)-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid Openeye Name: [2-[(2-phenoxyacetyl)amino]-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid CAS Name: [2-[(1-oxo-2-phenoxyethyl)amino]-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid IUPAC Name: [2-[(2-phenoxyacetyl)amino]-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid Traditional Name: [2-[(2-phenoxyacetyl)amino]-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid Formula: C13H17N4O5P MolecularWeight: 340.271641

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC(CN2C=NC=N2)CP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC(CN2C=NC=N2)CP(=O)(O)O

InChI

InChI=1S/C13H17N4O5P/c18-13(7-22-12-4-2-1-3-5-12)16-11(8-23(19,20)21)6-17-10-14-9-15-17/h1-5,9-11H,6-8H2,(H,16,18)(H2,19,20,21)