4-chloranyl-N-[5-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[5-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[5-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[5-methyl-2-(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-3-pyrazolyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[5-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[5-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-nitro-benzamide Formula: C22H15ClN8O3 MolecularWeight: 474.8593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C22H15ClN8O3/c1-13-9-19(27-22(32)14-7-8-17(23)18(10-14)31(33)34)30(28-13)21-16-11-26-29(20(16)24-12-25-21)15-5-3-2-4-6-15/h2-12H,1H3,(H,27,32)