4-[(1-methylpyrazol-4-yl)methylamino]-2-oxidanyl-benzoate

Systemtic Name: 4-[(1-methylpyrazol-4-yl)methylamino]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-4-[(1-methylpyrazol-4-yl)methylamino]benzoate CAS Name: 2-hydroxy-4-[(1-methyl-4-pyrazolyl)methylamino]benzoate IUPAC Name: 2-hydroxy-4-[(1-methylpyrazol-4-yl)methylamino]benzoate Traditional Name: 2-hydroxy-4-[(1-methylpyrazol-4-yl)methylamino]benzoate Formula: C12H12N3O3- MolecularWeight: 246.24198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC2=CC(=C(C=C2)C(=O)[O-])O

Isomeric SMILES

CN1C=C(C=N1)CNC2=CC(=C(C=C2)C(=O)[O-])O

InChI

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