ethyl 4-(2-bromanyl-3-nitro-phenyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: ethyl 4-(2-bromanyl-3-nitro-phenyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 4-(2-bromo-3-nitro-phenyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-(2-bromo-3-nitrophenyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-bromo-3-nitrophenyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-(2-bromo-3-nitro-phenyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C18H19BrN4O4 MolecularWeight: 435.27186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C2=CNNC2=N1)C3=C(C(=CC=C3)[N+](=O)[O-])Br)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(C2=CNNC2=N1)C3=C(C(=CC=C3)[N+](=O)[O-])Br)C(=O)OCC

InChI

InChI=1S/C18H19BrN4O4/c1-3-6-12-15(18(24)27-4-2)14(11-9-20-22-17(11)21-12)10-7-5-8-13(16(10)19)23(25)26/h5,7-9,14H,3-4,6H2,1-2H3,(H2,20,21,22)