N-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-2-nitro-benzamide

Systemtic Name: N-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-2-nitro-benzamide Openeye Name: N-[1-(3-chlorophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]-2-nitro-benzamide CAS Name: N-[1-(3-chlorophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-2-nitrobenzamide IUPAC Name: N-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-2-nitrobenzamide Traditional Name: N-[1-(3-chlorophenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]-2-nitro-benzamide Formula: C18H11ClN6O4 MolecularWeight: 410.77074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NN2C=NC3=C(C2=O)C=NN3C4=CC(=CC=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NN2C=NC3=C(C2=O)C=NN3C4=CC(=CC=C4)Cl)[N+](=O)[O-]

InChI

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