2-chloranyl-5-[(1-methylpyrazol-4-yl)methylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[(1-methylpyrazol-4-yl)methylamino]benzoic acid Openeye Name: 2-chloro-5-[(1-methylpyrazol-4-yl)methylamino]benzoic acid CAS Name: 2-chloro-5-[(1-methyl-4-pyrazolyl)methylamino]benzoic acid IUPAC Name: 2-chloro-5-[(1-methylpyrazol-4-yl)methylamino]benzoic acid Traditional Name: 2-chloro-5-[(1-methylpyrazol-4-yl)methylamino]benzoic acid Formula: C12H12ClN3O2 MolecularWeight: 265.69558

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)CNC2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C12H12ClN3O2/c1-16-7-8(6-15-16)5-14-9-2-3-11(13)10(4-9)12(17)18/h2-4,6-7,14H,5H2,1H3,(H,17,18)