(2-azanyl-2-oxidanylidene-ethyl) 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: (2-amino-2-oxo-ethyl) 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid (2-amino-2-keto-ethyl) ester Formula: C13H13N3O3 MolecularWeight: 259.26062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CC2=CC=C(C=C2)C(=O)OCC(=O)N

Isomeric SMILES

C1=CN(N=C1)CC2=CC=C(C=C2)C(=O)OCC(=O)N

InChI

InChI=1S/C13H13N3O3/c14-12(17)9-19-13(18)11-4-2-10(3-5-11)8-16-7-1-6-15-16/h1-7H,8-9H2,(H2,14,17)