4-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-oxidanyl-benzoate

Systemtic Name: 4-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-oxidanyl-benzoate Openeye Name: 4-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-hydroxy-benzoate CAS Name: 4-[(1,3-dimethyl-4-pyrazolyl)methylamino]-2-hydroxybenzoate IUPAC Name: 4-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-hydroxybenzoate Traditional Name: 4-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-hydroxy-benzoate Formula: C13H14N3O3- MolecularWeight: 260.26856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNC2=CC(=C(C=C2)C(=O)[O-])O)C

Isomeric SMILES

CC1=NN(C=C1CNC2=CC(=C(C=C2)C(=O)[O-])O)C

InChI

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