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

Systemtic Name: 4-[(1-ethylpyrazol-4-yl)methylamino]-2-oxidanyl-benzoate Openeye Name: 4-[(1-ethylpyrazol-4-yl)methylamino]-2-hydroxy-benzoate CAS Name: 4-[(1-ethyl-4-pyrazolyl)methylamino]-2-hydroxybenzoate IUPAC Name: 4-[(1-ethylpyrazol-4-yl)methylamino]-2-hydroxybenzoate Traditional Name: 4-[(1-ethylpyrazol-4-yl)methylamino]-2-hydroxy-benzoate Formula: C13H14N3O3- MolecularWeight: 260.26856

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CNC2=CC(=C(C=C2)C(=O)[O-])O

Isomeric SMILES

CCN1C=C(C=N1)CNC2=CC(=C(C=C2)C(=O)[O-])O

InChI

InChI=1S/C13H15N3O3/c1-2-16-8-9(7-15-16)6-14-10-3-4-11(13(18)19)12(17)5-10/h3-5,7-8,14,17H,2,6H2,1H3,(H,18,19)/p-1