methyl 2,4-bis(fluoranyl)-5-[(1-methylpyrazol-4-yl)methylamino]benzoate

Systemtic Name: methyl 2,4-bis(fluoranyl)-5-[(1-methylpyrazol-4-yl)methylamino]benzoate Openeye Name: methyl 2,4-difluoro-5-[(1-methylpyrazol-4-yl)methylamino]benzoate CAS Name: 2,4-difluoro-5-[(1-methyl-4-pyrazolyl)methylamino]benzoic acid methyl ester IUPAC Name: methyl 2,4-difluoro-5-[(1-methylpyrazol-4-yl)methylamino]benzoate Traditional Name: 2,4-difluoro-5-[(1-methylpyrazol-4-yl)methylamino]benzoic acid methyl ester Formula: C13H13F2N3O2 MolecularWeight: 281.258026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC2=C(C=C(C(=C2)C(=O)OC)F)F

Isomeric SMILES

CN1C=C(C=N1)CNC2=C(C=C(C(=C2)C(=O)OC)F)F

InChI

InChI=1S/C13H13F2N3O2/c1-18-7-8(6-17-18)5-16-12-3-9(13(19)20-2)10(14)4-11(12)15/h3-4,6-7,16H,5H2,1-2H3