4-(4-chloranyl-2-nitro-phenoxy)-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-(4-chloranyl-2-nitro-phenoxy)-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-chloro-2-nitro-phenoxy)-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-(4-chloro-2-nitrophenoxy)-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-chloro-2-nitrophenoxy)-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C12H8ClN5O3 MolecularWeight: 305.67662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H8ClN5O3/c1-17-11-8(5-16-17)12(15-6-14-11)21-10-3-2-7(13)4-9(10)18(19)20/h2-6H,1H3