tert-butyl 6-chloranyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-2,5-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylate

Systemtic Name: tert-butyl 6-chloranyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-2,5-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylate Openeye Name: tert-butyl 2-(tert-butoxycarbonylamino)-6-chloro-3-oxo-2,5-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylate CAS Name: 6-chloro-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-2,5-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-2,5-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylate Traditional Name: 2-(tert-butoxycarbonylamino)-6-chloro-3-keto-2,5-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid tert-butyl ester Formula: C16H24ClN3O5 MolecularWeight: 373.83186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(=CN2N1C(=O)C(C2)NC(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1C(=CN2N1C(=O)C(C2)NC(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C16H24ClN3O5/c1-15(2,3)24-13(22)11-9(17)7-19-8-10(12(21)20(11)19)18-14(23)25-16(4,5)6/h7,10-11H,8H2,1-6H3,(H,18,23)