(2-chloranyl-4-nitro-phenyl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: (2-chloro-4-nitro-phenyl) 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylic acid (2-chloro-4-nitro-phenyl) ester Formula: C16H13ClN4O4 MolecularWeight: 360.75182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H13ClN4O4/c1-9(2)20-15-10(8-19-20)5-11(7-18-15)16(22)25-14-4-3-12(21(23)24)6-13(14)17/h3-9H,1-2H3