tert-butyl 7-chloranyl-6-(2-chloroethyl)-3-nitro-pyrazolo[1,5-a]pyrimidine-5-carboxylate

Systemtic Name: tert-butyl 7-chloranyl-6-(2-chloroethyl)-3-nitro-pyrazolo[1,5-a]pyrimidine-5-carboxylate Openeye Name: tert-butyl 7-chloro-6-(2-chloroethyl)-3-nitro-pyrazolo[1,5-a]pyrimidine-5-carboxylate CAS Name: 7-chloro-6-(2-chloroethyl)-3-nitro-5-pyrazolo[1,5-a]pyrimidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-chloro-6-(2-chloroethyl)-3-nitropyrazolo[1,5-a]pyrimidine-5-carboxylate Traditional Name: 7-chloro-6-(2-chloroethyl)-3-nitro-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid tert-butyl ester Formula: C13H14Cl2N4O4 MolecularWeight: 361.18066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=NC2=C(C=NN2C(=C1CCCl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=NC2=C(C=NN2C(=C1CCCl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H14Cl2N4O4/c1-13(2,3)23-12(20)9-7(4-5-14)10(15)18-11(17-9)8(6-16-18)19(21)22/h6H,4-5H2,1-3H3