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

Systemtic Name: 4-(4-methyl-2-nitro-phenoxy)-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-methyl-2-nitro-phenoxy)-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-(4-methyl-2-nitrophenoxy)-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-methyl-2-nitrophenoxy)-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-methyl-2-nitro-phenoxy)-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C18H13N5O3 MolecularWeight: 347.32752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=NC=NC3=C2C=NN3C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=NC=NC3=C2C=NN3C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O3/c1-12-7-8-16(15(9-12)23(24)25)26-18-14-10-21-22(17(14)19-11-20-18)13-5-3-2-4-6-13/h2-11H,1H3