[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H20N4O3 MolecularWeight: 316.355

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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=NC=N2

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O3/c1-11(14(21)19-16(2,3)4)23-15(22)12-5-7-13(8-6-12)20-10-17-9-18-20/h5-11H,1-4H3,(H,19,21)