4-[(3,5-dimethylpyrazol-1-yl)methylamino]benzoate

Systemtic Name: 4-[(3,5-dimethylpyrazol-1-yl)methylamino]benzoate Openeye Name: 4-[(3,5-dimethylpyrazol-1-yl)methylamino]benzoate CAS Name: 4-[(3,5-dimethyl-1-pyrazolyl)methylamino]benzoate IUPAC Name: 4-[(3,5-dimethylpyrazol-1-yl)methylamino]benzoate Traditional Name: 4-[(3,5-dimethylpyrazol-1-yl)methylamino]benzoate Formula: C13H14N3O2- MolecularWeight: 244.26916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CNC2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CNC2=CC=C(C=C2)C(=O)[O-])C

InChI

InChI=1S/C13H15N3O2/c1-9-7-10(2)16(15-9)8-14-12-5-3-11(4-6-12)13(17)18/h3-7,14H,8H2,1-2H3,(H,17,18)/p-1