1-(4-nitrophenyl)-5-[(E)-3-phenylprop-2-enyl]pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(4-nitrophenyl)-5-[(E)-3-phenylprop-2-enyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(E)-cinnamyl]-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-nitrophenyl)-5-[(E)-3-phenylprop-2-enyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-(4-nitrophenyl)-5-[(E)-3-phenylprop-2-enyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[(E)-cinnamyl]-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H15N5O3 MolecularWeight: 373.3648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O3/c26-20-18-13-22-24(16-8-10-17(11-9-16)25(27)28)19(18)21-14-23(20)12-4-7-15-5-2-1-3-6-15/h1-11,13-14H,12H2/b7-4+