butyl 3-chloranyl-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

Systemtic Name: butyl 3-chloranyl-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: butyl 3-chloro-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate CAS Name: 3-chloro-6-(4-nitro-1H-pyrazol-5-yl)-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid butyl ester IUPAC Name: butyl 3-chloro-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate Traditional Name: 3-chloro-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid butyl ester Formula: C14H13ClN6O4 MolecularWeight: 364.74382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=NN2C=C(C=NC2=C1Cl)C3=C(C=NN3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=NN2C=C(C=NC2=C1Cl)C3=C(C=NN3)[N+](=O)[O-]

InChI

InChI=1S/C14H13ClN6O4/c1-2-3-4-25-14(22)12-10(15)13-16-5-8(7-20(13)19-12)11-9(21(23)24)6-17-18-11/h5-7H,2-4H2,1H3,(H,17,18)