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

Systemtic Name: 4-(4-methoxy-2-nitro-phenoxy)-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-methoxy-2-nitro-phenoxy)-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-(4-methoxy-2-nitrophenoxy)-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-methoxy-2-nitrophenoxy)-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-methoxy-2-nitro-phenoxy)-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C13H11N5O4 MolecularWeight: 301.25754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O4/c1-17-12-9(6-16-17)13(15-7-14-12)22-11-4-3-8(21-2)5-10(11)18(19)20/h3-7H,1-2H3