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

Systemtic Name: 2-nitro-4-[(Z)-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]phenolate Openeye Name: 2-nitro-4-[(Z)-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]phenolate CAS Name: 2-nitro-4-[(Z)-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)iminomethyl]phenolate IUPAC Name: 2-nitro-4-[(Z)-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]phenolate Traditional Name: 4-[(Z)-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]-2-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=CC(=C(C=C4)[O-])[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)[O-])[N+](=O)[O-]

InChI

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