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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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