(2-azanyl-2-oxidanylidene-ethyl) 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: (2-amino-2-oxo-ethyl) 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid (2-amino-2-keto-ethyl) ester Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)N

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)N

InChI

InChI=1S/C13H13N3O3/c1-9-6-7-15-16(9)11-4-2-10(3-5-11)13(18)19-8-12(14)17/h2-7H,8H2,1H3,(H2,14,17)