4-[(1-methylpyrazol-4-yl)methylamino]benzoate

Systemtic Name: 4-[(1-methylpyrazol-4-yl)methylamino]benzoate Openeye Name: 4-[(1-methylpyrazol-4-yl)methylamino]benzoate CAS Name: 4-[(1-methyl-4-pyrazolyl)methylamino]benzoate IUPAC Name: 4-[(1-methylpyrazol-4-yl)methylamino]benzoate Traditional Name: 4-[(1-methylpyrazol-4-yl)methylamino]benzoate Formula: C12H12N3O2- MolecularWeight: 230.24258

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)CNC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C12H13N3O2/c1-15-8-9(7-14-15)6-13-11-4-2-10(3-5-11)12(16)17/h2-5,7-8,13H,6H2,1H3,(H,16,17)/p-1