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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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