3-[(5-chloranyl-1,3-benzoxazol-2-yl)methylamino]-1H-1,2,4-triazole-5-carboxylic acid

Systemtic Name: 3-[(5-chloranyl-1,3-benzoxazol-2-yl)methylamino]-1H-1,2,4-triazole-5-carboxylic acid Openeye Name: 3-[(5-chloro-1,3-benzoxazol-2-yl)methylamino]-1H-1,2,4-triazole-5-carboxylic acid CAS Name: 3-[(5-chloro-1,3-benzoxazol-2-yl)methylamino]-1H-1,2,4-triazole-5-carboxylic acid IUPAC Name: 3-[(5-chloro-1,3-benzoxazol-2-yl)methylamino]-1H-1,2,4-triazole-5-carboxylic acid Traditional Name: 3-[(5-chloro-1,3-benzoxazol-2-yl)methylamino]-1H-1,2,4-triazole-5-carboxylic acid Formula: C11H8ClN5O3 MolecularWeight: 293.66592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N=C(O2)CNC3=NNC(=N3)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)N=C(O2)CNC3=NNC(=N3)C(=O)O

InChI

InChI=1S/C11H8ClN5O3/c12-5-1-2-7-6(3-5)14-8(20-7)4-13-11-15-9(10(18)19)16-17-11/h1-3H,4H2,(H,18,19)(H2,13,15,16,17)