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

Systemtic Name: ethyl 7-chloranyl-6-(2-chloroethyl)-3-nitro-pyrazolo[1,5-a]pyrimidine-5-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C11H10Cl2N4O4 MolecularWeight: 333.1275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10Cl2N4O4/c1-2-21-11(18)8-6(3-4-12)9(13)16-10(15-8)7(5-14-16)17(19)20/h5H,2-4H2,1H3