methyl 4-[(3-methyl-4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(3-methyl-4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(3-methyl-4-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoate CAS Name: 4-[[(3-methyl-4-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-methyl-4-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoate Traditional Name: 4-[(4-keto-3-methyl-1-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoic acid methyl ester Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=O)C(=CN=C2N(N1)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C2C(=O)C(=CN=C2N(N1)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H18N4O4/c1-13-18-19(27)17(12-23-20(18)26(25-13)16-6-4-3-5-7-16)21(28)24-15-10-8-14(9-11-15)22(29)30-2/h3-12,25H,1-2H3,(H,24,28)