(2-chloranyl-4-nitro-phenyl) 3-methyl-1-(4-methylphenyl)-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 3-methyl-1-(4-methylphenyl)-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (2-chloro-4-nitro-phenyl) 3-methyl-6-phenyl-1-(p-tolyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 3-methyl-1-(4-methylphenyl)-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 3-methyl-1-(4-methylphenyl)-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 3-methyl-6-phenyl-1-(p-tolyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid (2-chloro-4-nitro-phenyl) ester Formula: C27H19ClN4O4 MolecularWeight: 498.91716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=N2)C)C(=CC(=N3)C4=CC=CC=C4)C(=O)OC5=C(C=C(C=C5)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=N2)C)C(=CC(=N3)C4=CC=CC=C4)C(=O)OC5=C(C=C(C=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C27H19ClN4O4/c1-16-8-10-19(11-9-16)31-26-25(17(2)30-31)21(15-23(29-26)18-6-4-3-5-7-18)27(33)36-24-13-12-20(32(34)35)14-22(24)28/h3-15H,1-2H3