[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H21BrN4O4 MolecularWeight: 437.28774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H21BrN4O4/c1-10(15(24)20-17(26)21-18(2,3)4)27-16(25)14-9-13(22-23-14)11-5-7-12(19)8-6-11/h5-10H,1-4H3,(H,22,23)(H2,20,21,24,26)/t10-/m1/s1