2-[(1,5-dimethylpyrazol-4-yl)methylamino]benzoate

Systemtic Name: 2-[(1,5-dimethylpyrazol-4-yl)methylamino]benzoate Openeye Name: 2-[(1,5-dimethylpyrazol-4-yl)methylamino]benzoate CAS Name: 2-[(1,5-dimethyl-4-pyrazolyl)methylamino]benzoate IUPAC Name: 2-[(1,5-dimethylpyrazol-4-yl)methylamino]benzoate Traditional Name: 2-[(1,5-dimethylpyrazol-4-yl)methylamino]benzoate Formula: C13H14N3O2- MolecularWeight: 244.26916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CNC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C)CNC2=CC=CC=C2C(=O)[O-]

InChI

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