4-chloranyl-2-nitro-6-[(Z)-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]phenolate

Systemtic Name: 4-chloranyl-2-nitro-6-[(Z)-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]phenolate Openeye Name: 4-chloro-2-nitro-6-[(Z)-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]phenolate CAS Name: 4-chloro-2-nitro-6-[(Z)-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)iminomethyl]phenolate IUPAC Name: 4-chloro-2-nitro-6-[(Z)-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]phenolate Traditional Name: 4-chloro-2-[(Z)-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]-6-nitro-phenolate Formula: C18H10ClN6O4- MolecularWeight: 409.7628

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11ClN6O4/c19-12-6-11(16(26)15(7-12)25(28)29)8-21-23-10-20-17-14(18(23)27)9-22-24(17)13-4-2-1-3-5-13/h1-10,26H/p-1/b21-8-