3-(2H-benzotriazol-5-ylcarbonylamino)-2-[(2-chloranyl-6-fluoranyl-phenyl)carbonylamino]propanoic acid

Systemtic Name: 3-(2H-benzotriazol-5-ylcarbonylamino)-2-[(2-chloranyl-6-fluoranyl-phenyl)carbonylamino]propanoic acid Openeye Name: 3-(2H-benzotriazole-5-carbonylamino)-2-[(2-chloro-6-fluoro-benzoyl)amino]propanoic acid CAS Name: 3-[[2H-benzotriazol-5-yl(oxo)methyl]amino]-2-[[(2-chloro-6-fluorophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(2H-benzotriazole-5-carbonylamino)-2-[(2-chloro-6-fluorobenzoyl)amino]propanoic acid Traditional Name: 3-(2H-benzotriazole-5-carbonylamino)-2-[(2-chloro-6-fluoro-benzoyl)amino]propionic acid Formula: C17H13ClFN5O4 MolecularWeight: 405.767623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C(=O)NC(CNC(=O)C2=CC3=NNN=C3C=C2)C(=O)O)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C(=O)NC(CNC(=O)C2=CC3=NNN=C3C=C2)C(=O)O)F

InChI

InChI=1S/C17H13ClFN5O4/c18-9-2-1-3-10(19)14(9)16(26)21-13(17(27)28)7-20-15(25)8-4-5-11-12(6-8)23-24-22-11/h1-6,13H,7H2,(H,20,25)(H,21,26)(H,27,28)(H,22,23,24)