N-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-4-nitro-benzamide

Systemtic Name: N-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-4-nitro-benzamide Openeye Name: N-[1-(3-chlorophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]-4-nitro-benzamide CAS Name: N-[1-(3-chlorophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-4-nitrobenzamide IUPAC Name: N-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-4-nitrobenzamide Traditional Name: N-[1-(3-chlorophenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]-4-nitro-benzamide Formula: C18H11ClN6O4 MolecularWeight: 410.77074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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