[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC=C(C=C1)N2C=CC=N2

Isomeric SMILES

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC=C(C=C1)N2C=CC=N2

InChI

InChI=1S/C17H21N3O3/c1-12(15(21)19-17(2,3)4)23-16(22)13-6-8-14(9-7-13)20-11-5-10-18-20/h5-12H,1-4H3,(H,19,21)