[2-[(2-ethoxy-2-oxidanylidene-ethyl)-phenyl-amino]-2-oxidanylidene-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-[(2-ethoxy-2-oxidanylidene-ethyl)-phenyl-amino]-2-oxidanylidene-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-(N-(2-ethoxy-2-oxo-ethyl)anilino)-2-oxo-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid [2-(N-(2-ethoxy-2-keto-ethyl)anilino)-2-keto-ethyl] ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC=CC=C1)C(=O)COC(=O)C2=CN=C3C(=C2)C(=NN3C)C

Isomeric SMILES

CCOC(=O)CN(C1=CC=CC=C1)C(=O)COC(=O)C2=CN=C3C(=C2)C(=NN3C)C

InChI

InChI=1S/C21H22N4O5/c1-4-29-19(27)12-25(16-8-6-5-7-9-16)18(26)13-30-21(28)15-10-17-14(2)23-24(3)20(17)22-11-15/h5-11H,4,12-13H2,1-3H3