5-[(1-methylpyrazol-3-yl)methylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(1-methylpyrazol-3-yl)methylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[(1-methylpyrazol-3-yl)methylamino]benzoic acid CAS Name: 2-hydroxy-5-[(1-methyl-3-pyrazolyl)methylamino]benzoic acid IUPAC Name: 2-hydroxy-5-[(1-methylpyrazol-3-yl)methylamino]benzoic acid Traditional Name: 2-hydroxy-5-[(1-methylpyrazol-3-yl)methylamino]benzoic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)CNC2=CC(=C(C=C2)O)C(=O)O

Isomeric SMILES

CN1C=CC(=N1)CNC2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C12H13N3O3/c1-15-5-4-9(14-15)7-13-8-2-3-11(16)10(6-8)12(17)18/h2-6,13,16H,7H2,1H3,(H,17,18)