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

Systemtic Name: 4-chloranyl-N-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-(3-chlorophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-(3-chlorophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-(3-chlorophenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]-3-nitro-benzamide Formula: C18H10Cl2N6O4 MolecularWeight: 445.2158

Click to see the large picture

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

InChI

InChI=1S/C18H10Cl2N6O4/c19-11-2-1-3-12(7-11)25-16-13(8-22-25)18(28)24(9-21-16)23-17(27)10-4-5-14(20)15(6-10)26(29)30/h1-9H,(H,23,27)