4-nitro-2-[(Z)-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]phenolate

Systemtic Name: 4-nitro-2-[(Z)-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]phenolate Openeye Name: 4-nitro-2-[(Z)-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]phenolate CAS Name: 4-nitro-2-[(Z)-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)iminomethyl]phenolate IUPAC Name: 4-nitro-2-[(Z)-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]phenolate Traditional Name: 2-[(Z)-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]-4-nitro-phenolate Formula: C18H11N6O4- MolecularWeight: 375.31774

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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=C(C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H12N6O4/c25-16-7-6-14(24(27)28)8-12(16)9-20-22-11-19-17-15(18(22)26)10-21-23(17)13-4-2-1-3-5-13/h1-11,25H/p-1/b20-9-