3-[(1-ethylpyrazol-4-yl)methylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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