[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl] 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylic acid [2-(3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C19H19ClN4O3 MolecularWeight: 386.83216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)C2=CN=C3C(=C2)C=NN3C(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)C2=CN=C3C(=C2)C=NN3C(C)C

InChI

InChI=1S/C19H19ClN4O3/c1-11(2)24-18-13(9-22-24)7-14(8-21-18)19(26)27-10-17(25)23-16-6-4-5-15(20)12(16)3/h4-9,11H,10H2,1-3H3,(H,23,25)