[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NCC#C)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NCC#C)C

InChI

InChI=1S/C17H17N3O3/c1-4-9-18-16(21)11-23-17(22)14-5-7-15(8-6-14)20-13(3)10-12(2)19-20/h1,5-8,10H,9,11H2,2-3H3,(H,18,21)