2-chloranyl-4-nitro-N-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]benzamide

Systemtic Name: 2-chloranyl-4-nitro-N-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]benzamide Openeye Name: 2-chloro-4-nitro-N-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]benzamide CAS Name: 2-chloro-4-nitro-N-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]benzamide IUPAC Name: 2-chloro-4-nitro-N-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]benzamide Traditional Name: 2-chloro-N-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-nitro-benzamide Formula: C19H13ClN6O4 MolecularWeight: 424.79732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CNC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CNC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H13ClN6O4/c20-15-8-12(26(29)30)6-7-13(15)18(27)21-10-16-23-17-14(19(28)24-16)9-22-25(17)11-4-2-1-3-5-11/h1-9,22H,10H2,(H,21,27)