5-[(Z)-(4-chloranyl-3-nitro-phenyl)methylideneamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[(Z)-(4-chloranyl-3-nitro-phenyl)methylideneamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(Z)-(4-chloro-3-nitro-phenyl)methyleneamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[(Z)-(4-chloro-3-nitro-benzylidene)amino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H11ClN6O3 MolecularWeight: 394.77134

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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)Cl)[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)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H11ClN6O3/c19-15-7-6-12(8-16(15)25(27)28)9-21-23-11-20-17-14(18(23)26)10-22-24(17)13-4-2-1-3-5-13/h1-11H/b21-9-