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

Systemtic Name: ethyl 1-(2-cyanoethyl)-3-methyl-6-(4-methyl-3-nitro-phenyl)pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: ethyl 1-(2-cyanoethyl)-3-methyl-6-(4-methyl-3-nitro-phenyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-methyl-6-(4-methyl-3-nitrophenyl)-4-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-cyanoethyl)-3-methyl-6-(4-methyl-3-nitrophenyl)pyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-methyl-6-(4-methyl-3-nitro-phenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid ethyl ester Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC2=C1C(=NN2CCC#N)C)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=NC2=C1C(=NN2CCC#N)C)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4/c1-4-29-20(26)15-11-16(14-7-6-12(2)17(10-14)25(27)28)22-19-18(15)13(3)23-24(19)9-5-8-21/h6-7,10-11H,4-5,9H2,1-3H3