2-chloranyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoic acid Openeye Name: 2-chloro-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoic acid CAS Name: 2-chloro-5-[(1,3,5-trimethyl-4-pyrazolyl)methylamino]benzoic acid IUPAC Name: 2-chloro-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoic acid Traditional Name: 2-chloro-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoic acid Formula: C14H16ClN3O2 MolecularWeight: 293.74874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CNC2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C)C)CNC2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C14H16ClN3O2/c1-8-12(9(2)18(3)17-8)7-16-10-4-5-13(15)11(6-10)14(19)20/h4-6,16H,7H2,1-3H3,(H,19,20)