5-[(E)-(4-nitrophenyl)methylideneamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[(E)-(4-nitrophenyl)methylideneamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(E)-(4-nitrophenyl)methyleneamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(E)-(4-nitrophenyl)methylideneamino]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[(E)-(4-nitrobenzylidene)amino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H12N6O3 MolecularWeight: 360.32628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)N=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)/N=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N6O3/c25-18-16-11-21-23(14-4-2-1-3-5-14)17(16)19-12-22(18)20-10-13-6-8-15(9-7-13)24(26)27/h1-12H/b20-10+